Methyl octadec-9-EN-12-ynoate
Basic information
- CAS
2907-83-7- Standard SMILES
CCCCCC#CCC=CCCCCCCCC(=O)OC- InChIKey
PBUBQZYMYOKABE-UHFFFAOYSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Overview
9-Octadecen-12-ynoic acid, methyl ester, (9Z)- has been reported in Saussurea candicans and Apium graveolens with data available.
Names & identifiers
- Preferred name
- Methyl octadec-9-EN-12-ynoate
- IUPAC
- methyl octadec-9-en-12-ynoate
Names & synonyms
METHYL OCTADEC-9-EN-12-YNOATEmethyl 9-octadecen-12-ynoateSCHEMBL30184799DTXSID403368359-Octadecen-12-ynoic acid methyl esterDB-27330456847-05-3
Database identifiers
- CAS
2907-83-7- PubChem CID
- 536649
- DTXSID
DTXSID40336835
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…