Basic information
- CAS
100311-32-8- Standard SMILES
C#CC(OC(=O)c1ccccc1)C1CCCCC1- InChIKey
GYYQUBPJPUOQKZ-UHFFFAOYSA-N- Molecular formula
- C16H18O2
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.13067981
Names & identifiers
- Preferred name
- 1-Cyclohexylprop-2-yn-1-yl benzoate
- IUPAC
- 1-cyclohexylprop-2-ynyl benzoate
- English name
- Benzoic acid, 1-cyclohexyl-2-propyn-1-yl ester
- Molecular weight
- 0
Names & synonyms
100311-32-81-CYCLOHEXYLPROP-2-YN-1-YL BENZOATEDTXSID10905375RefChem:1055311DTXCID001334478Cyclohexanemethanol, alpha-ethynyl-, benzoate1-cyclohexylprop-2-ynyl benzoateBRN 3294788BENZOIC ACID, 1-CYCLOHEXYL-2-PROPYN-1-YL ESTER4-09-00-00301 (Beilstein Handbook Reference)Cyclohexanemethanol, alpha-ethynyl-, 1-benzoate
Database identifiers
- CAS
100311-32-8- PubChem CID
- 57764
- DTXSID
DTXSID10905375- Nikkaji
- J73.925A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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