Valeric acid, 4-pentadecyl ester
Basic information
- CAS
959021-71-7- Standard SMILES
CCCCCCCCCCCC(CCC)OC(=O)CCCC- InChIKey
GYIIKANRYLADQO-UHFFFAOYSA-N- Molecular formula
- C20H40O2
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.30283051
Names & identifiers
- Preferred name
- Valeric acid, 4-pentadecyl ester
- IUPAC
- pentadecan-4-yl pentanoate
Names & synonyms
Valeric acid, 4-pentadecyl esterDTXSID601016428959021-71-7RefChem:388293DTXCID301474613GYIIKANRYLADQO-UHFFFAOYSA-Npentadecan-4-yl pentanoate4-pentadecyl valerate1-Propyldodecyl pentanoate #SCHEMBL31459847
Database identifiers
- CAS
959021-71-7- PubChem CID
- 559043
- DTXSID
DTXSID601016428
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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