Basic information
- CAS
37172-54-6- Standard SMILES
CCCCCCC1C(=O)CCC1C(=O)OCC- InChIKey
INTQBOZOCPYNQM-UHFFFAOYSA-N- Molecular formula
- C14H24O3
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.17254462
Names & identifiers
- Preferred name
- Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester
- IUPAC
- ethyl 2-hexyl-3-oxocyclopentane-1-carboxylate
- English name
- ethyl 2-hexyl-3-oxocyclopentanecarboxylate
- Molecular formula
- C14H24O3
- Molecular weight
- 240.33856
Names & synonyms
37172-54-6Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl esterEINECS 253-380-7DTXSID308856652-Hexyl-3-oxo-1-cyclopentanecarboxylic acid, ethyl esterRefChem:129857DTXCID501025030ethyl 2-hexyl-3-oxocyclopentane-1-carboxylateEthyl 2-hexyl-3-oxocyclopentanecarboxylateethyl 2-n-hexyl-3-oxo-cyclopentanecarboxylateSCHEMBL15552072NS00057368
Show more names
ethyl 2-hexyl-3-oxocyclopentanecarboxylate2-Hexyl-3-oxocyclopentanecarboxylic acid ethyl ester
Database identifiers
- CAS
37172-54-6- PubChem CID
- 169863
- DTXSID
DTXSID30885665- EC Number
- 253-380-7
- Nikkaji
- J260.754I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- LogP
- 3.306 · 3.306 (est)
- EPA Substance Registry System
- 2 · Cyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester (37172-54-6)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclopentanecarboxylic acid, 2-hexyl-3-oxo-, ethyl ester: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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