Basic information
- CAS
60066-51-5- Standard SMILES
C=CC(C)(C)CC(=O)OCc1cccc(Oc2ccccc2)c1- InChIKey
RUYFMTUASPQEFD-UHFFFAOYSA-N- Molecular formula
- C20H22O3
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.15689456
Names & identifiers
- Preferred name
- (3-Phenoxyphenyl)methyl 3,3-dimethylpent-4-enoate
- IUPAC
- (3-phenoxyphenyl)methyl 3,3-dimethylpent-4-enoate
Names & synonyms
(3-Phenoxyphenyl)methyl 3,3-dimethylpent-4-enoate60066-51-5SCHEMBL8759216DTXSID50535978RUYFMTUASPQEFD-UHFFFAOYSA-N3-phenoxybenzyl 3,3-dimethyl-4-pentenoate
Database identifiers
- CAS
60066-51-5- PubChem CID
- 13305232
- DTXSID
DTXSID50535978
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 382
Related reactions
5 records
Compound notes
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