Ethyl 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate
Basic information
- CAS
92956-96-2- Standard SMILES
C=C(C)C#CC(O)(C(=O)OCC)C1CCCC1- InChIKey
AVKZETLNWORGED-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Ethyl 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate
- IUPAC
- ethyl 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoate
Names & synonyms
92956-96-2ethyl 2-cyclopentyl-2-hydroxy-5-methylhex-5-en-3-ynoateNSC116017DTXSID70297445NSC-116017
Database identifiers
- CAS
92956-96-2- PubChem CID
- 271986
- DTXSID
DTXSID70297445
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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