3-Pentylcyclopentyl butyrate
Basic information
- CAS
84812-68-0- Standard SMILES
CCCCCC1CCC(OC(=O)CCC)C1- InChIKey
MVXQRSHCSLQAQL-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 3-Pentylcyclopentyl butyrate
- IUPAC
- (3-pentylcyclopentyl) butanoate
- English name
- 3-pentylcyclopentyl butyrate
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35504
Names & synonyms
3-Pentylcyclopentyl butyrate84812-68-0EINECS 284-212-03-PENTYLCYCLOPENTYL BUTANOATEMVXQRSHCSLQAQL-UHFFFAOYSA-NDTXSID801005106NS00061522Butyric acid 3-pentylcyclopentyl ester
Database identifiers
- CAS
84812-68-0- PubChem CID
- 3020145
- DTXSID
DTXSID801005106- EC Number
- 284-212-0
- Nikkaji
- J309.472C
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
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Compound notes
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