2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester
Basic information
- CAS
10485-39-9- Standard SMILES
COC(=O)C=C(C)CCCC(C)(Cl)CCCC(C)(C)Cl- InChIKey
AWVGVHUVOTVOAQ-UHFFFAOYSA-N- Molecular formula
- C16H28Cl2O2
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 322.1466355
Names & identifiers
- Preferred name
- 2-Dodecenoic acid, 7,11-dichloro-3,7,11-trimethyl-, methyl ester
- IUPAC
- methyl 7,11-dichloro-3,7,11-trimethyldodec-2-enoate
Names & synonyms
methyl-3,7,11-trimethyl-7,11-dichloro-2-dodecenoate10485-39-92-DODECENOIC ACID, 7,11-DICHLORO-3,7,11-TRIMETHYL-, METHYL ESTERDTXSID301171162Methyl 7,11-dichloro-3,7,11-trimethyldodec-2-enoate
Database identifiers
- CAS
10485-39-9- PubChem CID
- 25309
- DTXSID
DTXSID301171162
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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