S-Methoprene

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

What is the S-Methoprene?

The molecule S-Methoprene presents a molecular formula of C19H34O3 and its IUPAC name is propan-2-yl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate.

S-Methoprene is a molecule that is used in many insecticides. It is an insect growth regulator that works by preventing the insects from molting. This means that the insects cannot grow or reproduce. S-Methoprene is effective against a wide variety of insects, including fleas, cockroaches, and ants. It is safe for use around humans and pets, and is often used in household insecticides..

3D structure

Cartesian coordinates

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

2D drawing

 

S-Methoprene NFGXHKASABOEEW-GYMWBFJFSA-N chemical compound 2D structure molecule svg
S-Methoprene

 

Molecule descriptors

 
IUPAC namepropan-2-yl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
InChI codeInChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+/t16-/m1/s1
InChI KeyNFGXHKASABOEEW-GYMWBFJFSA-N
SMILESCOC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C

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.

  • (+)-Methoprene
  • (2E,4E,7S)-1-Methylethyl 11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate
  • (7S)-Methoprene
  • (S)-(+)-Methoprene?
  • (S)-METHOPRENE COMPONENT OF BROADLINE
  • (S)-methoprene
  • (S,2E,4E)-isopropyl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
  • 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E,7S)-
  • 4YIQ0A94UR
  • 65733-16-6
  • 7S)-Methoprene
  • A913960
  • AB01563364_01
  • ALTOSID
  • AS-18089
  • Altosid XR Briquets
  • Altoside CP 10
  • Altoside CP 2
  • BROADLINE COMPONENT (S)-METHOPRENE
  • BSPBio_003468
  • CCG-39694
  • CS-0020254
  • DB11495
  • DSSTox_CID_15783
  • DSSTox_GSID_35783
  • DSSTox_RID_79269
  • Diacon II
  • E78309
  • ENT-70460
  • EPA Pesticide Chemical Code 105402
  • Extinguish
  • Flea Killer Plus
  • HMS1923M17
  • HY-B1161A
  • Isopropyl (2E,4E,7S)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate
  • MFCD00867612
  • Manina
  • Methoprene (7S)-form
  • Methoprene, (S)-
  • Metoprag 20ce
  • NCGC00163814-01
  • NCGC00163814-02
  • NCGC00255607-01
  • NSC-758655
  • NSC758655
  • Pharmakon1600-01504100
  • Pharorid
  • Preco
  • Q27119791
  • S-(+)-Methoprene
  • S-Methoprene
  • SB-515
  • SBI-0207033.P001
  • SPECTRUM1504100
  • ZPA-1019
  • ZR 2458
  • ZR-2458
  • ZR-515
  • ZR2458
  • Zodiac
  • d-Methoprene
  • isopropyl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
  • isopropyl (S,2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
  • methoprene (s)
  • methoprene-(s)
  • propan-2-yl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC2005163
  • CAS-65733-16-6
  • UNII-4YIQ0A94UR
  • AKOS037643628
  • DTXSID1035783
  • CHEMBL1875086
  • CHEBI:39255
  • Tox21_301409
  • SCHEMBL43694
  • SCHEMBL1190845
  • Spectrum5_001410

Physico-Chemical properties

IUPAC namepropan-2-yl (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
Molecular formulaC19H34O3
Molecular weight310.471
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity94.91
LogP5.1
Topological polar surface area35.5

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.