Ethyl alpha-propylcyclopentaneacetate
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Basic information
- CAS
36588-75-7- Standard SMILES
CCCC(C(=O)OCC)C1CCCC1- InChIKey
UTCCCUNOFQGWKR-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Ethyl alpha-propylcyclopentaneacetate
- IUPAC
- ethyl 2-cyclopentylpentanoate
- English name
- ethyl alpha-propylcyclopentaneacetate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.30188
Names & synonyms
Ethyl alpha-propylcyclopentaneacetate36588-75-7EINECS 253-119-7RefChem:138878253-119-7ethyl 2-cyclopentylpentanoateDTXSID40957862UTCCCUNOFQGWKR-UHFFFAOYSA-NDB-265032NS00057479ethyl α-propylcyclopentaneacetateα-Propylcyclopentaneacetic acid ethyl ester
Database identifiers
- CAS
36588-75-7- PubChem CID
- 118337
- DTXSID
DTXSID40957862- EC Number
- 253-119-7
- Nikkaji
- J332.320J
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cyclopentaneacetic acid, .alpha.-propyl-, ethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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