Basic information
- CAS
92956-95-1- Standard SMILES
CCC#CC(O)(C(=O)OCC)C1CCCC1- InChIKey
JUPBIZFOXQSSII-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- Ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate
- IUPAC
- ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoate
Names & synonyms
92956-95-1ethyl 2-cyclopentyl-2-hydroxyhex-3-ynoateNSC116002DTXSID00297433NSC-116002
Database identifiers
- CAS
92956-95-1- PubChem CID
- 271972
- DTXSID
DTXSID00297433
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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