Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester
Basic information
- CAS
100532-46-5- Standard SMILES
C#CC(OC(=O)CCC)C1CCCCC1- InChIKey
GOBXATJYRZJYRP-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Butyric acid, 1-cyclohexyl-2-propyn-1-yl ester
- IUPAC
- 1-cyclohexylprop-2-ynyl butanoate
- English name
- Cyclohexanemethanol, alpha-ethynyl-, butyrate
- Molecular formula
- C13H20O2
- Molecular weight
- 208.3
Names & synonyms
100532-46-5BUTYRIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTERRefChem:1080446Cyclohexanemethanol, alpha-ethynyl-, butyrate1-cyclohexylprop-2-ynyl butanoate1-cyclohexylprop-2-yn-1-yl butanoateDTXSID50905571Butanoic acid, 1-cyclohexyl-2-propyn-1-yl ester
Database identifiers
- CAS
100532-46-5- PubChem CID
- 57939
- DTXSID
DTXSID50905571- Nikkaji
- J65.879K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…