Basic information
- CAS
92957-02-3- Standard SMILES
CCOC(=O)C(O)(C#CC(C)C)C1CCCCC1- InChIKey
HYJJCVJETGUVHL-UHFFFAOYSA-N- Molecular formula
- C15H24O3
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.17254462
Names & identifiers
- Preferred name
- Ethyl 2-cyclohexyl-2-hydroxy-5-methylhex-3-ynoate
- IUPAC
- ethyl 2-cyclohexyl-2-hydroxy-5-methylhex-3-ynoate
Names & synonyms
92957-02-3ethyl 2-cyclohexyl-2-hydroxy-5-methylhex-3-ynoateNSC116018DTXSID30297446NSC-116018
Database identifiers
- CAS
92957-02-3- PubChem CID
- 271987
- DTXSID
DTXSID30297446
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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