Basic information
- CAS
6290-14-8- Standard SMILES
CC(C)C(=O)OC1CCCC1- InChIKey
MKIBNFZXBZAOJL-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Overview
See also: Propanoic acid, 2-methyl-, cyclopentyl ester (annotation moved to).
Names & identifiers
- Preferred name
- Cyclopentyl isobutyrate
- IUPAC
- cyclopentyl 2-methylpropanoate
- English name
- cyclopentyl isobutyrate
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22214
Names & synonyms
Cyclopentyl isobutyrate6290-14-8cyclopentyl 2-methylpropanoateEINECS 228-535-7SCHEMBL2419961SCHEMBL4676851SCHEMBL25404680DTXSID20212082NSC6543MKIBNFZXBZAOJL-UHFFFAOYSA-NNSC 6543NSC-6543
Show more names
2-Methylpropanoic acid cyclopentyl esterPropanoic acid, 2-methyl-, cyclopentyl ester
NS00035213
Database identifiers
- CAS
6290-14-8- PubChem CID
- 80504
- DTXSID
DTXSID20212082- EC Number
- 228-535-7
- Nikkaji
- J206.855I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- LogP
- 2.584 · 2.584 (est)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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