10-Undecenoic acid, octyl ester
Basic information
- CAS
28080-85-5- Standard SMILES
C=CCCCCCCCCC(=O)OCCCCCCCC- InChIKey
PKLGTKSKHJFCIX-UHFFFAOYSA-N- Molecular formula
- C19H36O2
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.27153039
Names & identifiers
- Preferred name
- 10-Undecenoic acid, octyl ester
- IUPAC
- octyl undec-10-enoate
- English name
- 10-Undecenoic acid octyl ester
- Molecular formula
- C19H36O2
- Molecular weight
- 296.49
Names & synonyms
10-Undecenoic acid, octyl ester28080-85-5DTXSID50336563RefChem:235814DTXCID00287652PKLGTKSKHJFCIX-UHFFFAOYSA-Noctyl undec-10-enoate10-Undecenoic acid octyl esterOctyl 10-undecenoate #SCHEMBL3210069
Database identifiers
- CAS
28080-85-5- PubChem CID
- 534598
- DTXSID
DTXSID50336563- Nikkaji
- J108.293K
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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