Basic information
- CAS
100883-28-1- Standard SMILES
C#CC(C)(CC)OC(=O)Cc1ccccc1- InChIKey
WMQXGADPRYEIHX-UHFFFAOYSA-N- Molecular formula
- C14H16O2
- Average molar mass
- 216.27 g/mol
- Monoisotopic mass
- 216.11502975
Names & identifiers
- Preferred name
- 3-Methylpent-1-yn-3-yl phenylacetate
- IUPAC
- 3-methylpent-1-yn-3-yl 2-phenylacetate
Names & synonyms
100883-28-1DTXSID809058223-methylpent-1-yn-3-yl phenylacetateRefChem:1068322DTXCID001334923BRN 3261283Phenylacetic acid 1-ethyl-1-methyl-2-propynyl esterACETIC ACID, PHENYL-, 1-ETHYL-1-METHYL-2-PROPYNYL ESTER4-09-00-01621 (Beilstein Handbook Reference)
Database identifiers
- CAS
100883-28-1- PubChem CID
- 58097
- DTXSID
DTXSID80905822
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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