(-)-Camphor

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for (-)-Camphor are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the (-)-Camphor?

The molecule (-)-Camphor presents a molecular formula of C10H16O and its IUPAC name is (1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Camphor is a white crystalline substance with a strong, aromatic odor. It belongs in the wood of the camphor tree and is used in many commercial products, including mothballs, camphor oil, and Vicks VapoRub..

Camphor has a variety of uses, both medicinal and commercial. When inhaled, camphor vapors can help to relieve congestion and coughing. When applied to the skin, camphor can help to relieve pain and itching. It is also a popular ingredient in many commercial products, such as mothballs, camphor oil, and Vicks VapoRub..

The camphor tree is native to Asia and can grow up to 100 feet tall. The tree produces a white, waxy substance called camphor. This substance is extracted from the tree and used in many different products..

The chemical structure of camphor is C10H16O. It is a white crystalline solid with a strong, aromatic odor. Camphor is insoluble in water but is soluble in most organic solvents..

Camphor is a popular ingredient in many commercial products, such as mothballs, camphor oil, and Vicks VapoRub. It is also used in many medicinal applications. When inhaled, camphor vapors can help to relieve congestion and coughing. When applied to the skin, camphor can help to relieve pain and itching..

3D structure

Cartesian coordinates

Geometry of (-)-Camphor in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

(-)-Camphor DSSYKIVIOFKYAU-OIBJUYFYSA-N chemical compound 2D structure molecule svg
(-)-Camphor

 

Molecule descriptors

 
IUPAC name(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI codeInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
InChI KeyDSSYKIVIOFKYAU-OIBJUYFYSA-N
SMILESCC1(C)[C@H]2CC[C@]1(C)C(=O)C2

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • ()-bornan-2-one
  • (-)-Alcanfor
  • (-)-Bornan-2-one
  • (-)-Camphor
  • (1S)-(-)-Camphor
  • (1S)-camphor
  • (1S,4S)-(-)-CAMPHOR
  • (1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
  • (1S,4S)-1,7,7-trimethylnorbornan-2-one
  • (1S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
  • (1S,4S)-camphor
  • (S)-(-)-CAMPHOR
  • (S)-camphor
  • 1S-Camphor
  • 213N3S8275
  • 464-48-2
  • BDBM36264
  • Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1S,4S)-
  • Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S,4S)-
  • CAMPHOR, (L)-
  • CAMPHOR, L-
  • CS-W016295
  • Camphor, (-)-
  • DB11345
  • DSSTox_CID_2036
  • DSSTox_GSID_22036
  • KBio2_001783
  • KBio2_004351
  • KBio2_006919
  • KBioGR_002313
  • KBioSS_001783
  • L(-)-Camphor
  • MFCD00064148
  • MS-20527
  • NCGC00356974-01
  • NSC 26351
  • NSC-26351
  • Q27095844
  • l-Camphor

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC967521
  • CAS-464-48-2
  • UNII-213N3S8275
  • AKOS005259217
  • DTXSID8022036
  • CHEMBL2252949
  • CHEBI:15397
  • Tox21_303988
  • EINECS 207-354-7
  • SCHEMBL1701376
  • Spectrum_001303
  • Spectrum4_001936
  • Spectrum5_000815

Physico-Chemical properties

IUPAC name(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Molecular formulaC10H16O
Molecular weight152.233
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity45.64
LogP2.4
Topological polar surface area17.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.