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Molecule
Methoprene
CAS: 40596-69-8 · C19H34O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 40596-69-8
- Molecular Formula
- C19H34O3
- Molecular Mass
- 310.48 g/mol
Identifiers
CAS Registry Number
40596-69-8
SMILES
COC(C)(C)CCCC(C)C/C=C/C(C)=C/C(=O)OC(C)C
InChI Key
NFGXHKASABOEEW-LDRANXPENA-N
InChI
InChI=1/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+
Names and Synonyms
- Methoprene Common Name
- 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2E,4E)- Synonym
- 2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (E,E)- Synonym
- Methoprene Synonym
- Altosid Synonym
- Isopropyl (2E,4E)-11-methoxy-3,7,11-trimethyl-2,4-dodecadienoate Synonym
- ZR 515 Synonym
- ENT 70460 Synonym
- Altosid SR 10 Synonym
- Manta Synonym
- Kabat Synonym
- ZPA 1019 Synonym
- Dianex Synonym
- Apex 600E Synonym
- Manina Synonym
- Starbar Inhibitor Synonym
- Juvemon Synonym
- Juvenmon Synonym
- Altosid XR Synonym
- Methoprene S Synonym
- Manta (hormone) Synonym
- Altosid Liquid Larvicide Synonym
- dl-Isopropyl 11-methoxy-3,7,11-trimethyl-trans-trans-2,4-dodecadienoate Synonym
- Apex Synonym
- Apex 5E Synonym
- Apex (pesticide) Synonym
- Bioprene BM Fire Ant Killer Bait Synonym
- (2E,4E)-3,7,11-Trimethyl-11-methoxydodeca-2,4-dienoic acid ethyl ester Synonym
- Metoprag 20CE Synonym
- SB-515 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.48 g/mol | CAS Common Chemistry |
| 310.47800000000007 g/mol | RDKit | |
| 310.478 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9261 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methoprene | CAS Common Chemistry |
| Melting Point | <25 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OC(C)C)C=C(C=CCC(C)CCCC(OC)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1/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+ | CAS Common Chemistry |
| InChI Key | InChIKey=NFGXHKASABOEEW-LDRANXPENA-N | CAS Common Chemistry |
| Name | Methoprene | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 5.062000000000006 | RDKit |
| 5.062 | RDKit | |
| Molar Refractivity | 92.84500000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7368 | RDKit |
| 0.74 | chempirical lib | |
| Exact Mass | 310.25079494799996 g/mol | RDKit |
| Boiling Point | 100 °C @ 0.05 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 310.48 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
