2-Ethylhexyl cyclopentanecarboxylate
Basic information
- CAS
94231-47-7- Standard SMILES
CCCCC(CC)COC(=O)C1CCCC1- InChIKey
PISFVCYDRLJBQS-UHFFFAOYSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 2-Ethylhexyl cyclopentanecarboxylate
- IUPAC
- 2-ethylhexyl cyclopentanecarboxylate
- English name
- 2-ethylhexyl cyclopentanecarboxylate
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35
Names & synonyms
2-Ethylhexyl cyclopentanecarboxylate94231-47-7EINECS 303-865-5Cyclopentanecarboxylic acid, 2-ethylhexyl esterSCHEMBL9000874DTXSID109160222-Ethylhexyl cyclopentanecarboxylate #NS00066739cyclopentanecarboxylic acid 2-ethyl-hexyl ester2-ethylhexanol cyclopentanecarboxylateCyclopentanecarboxylic acid 2-ethylhexyl ester
Database identifiers
- CAS
94231-47-7- PubChem CID
- 566239
- DTXSID
DTXSID10916022- EC Number
- 303-865-5
- Nikkaji
- J382.567A
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
- 195
Physicochemical properties
- Boiling point
- 270.4 · 270.4±8.0 °C(Predicted)
- Density
- 0.934 · 0.934±0.06 g/cm3(Predicted)
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Compound notes
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