Basic information
- CAS
92957-00-1- Standard SMILES
CCC#CC(O)(C(=O)OCC)C1CCCCC1- InChIKey
JPUKEWFUCFYBIJ-UHFFFAOYSA-N- Molecular formula
- C14H22O3
- Average molar mass
- 238.32 g/mol
- Monoisotopic mass
- 238.15689456
Names & identifiers
- Preferred name
- Ethyl 2-cyclohexyl-2-hydroxyhex-3-ynoate
- IUPAC
- ethyl 2-cyclohexyl-2-hydroxyhex-3-ynoate
Names & synonyms
92957-00-1ethyl 2-cyclohexyl-2-hydroxyhex-3-ynoateNSC116016DTXSID10297444NSC-116016
Database identifiers
- CAS
92957-00-1- PubChem CID
- 271985
- DTXSID
DTXSID10297444
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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