4-Methylpentyl 3-(4-methoxyphenyl)prop-2-enoate
Basic information
- CAS
594835-14-0- Standard SMILES
COc1ccc(C=CC(=O)OCCCC(C)C)cc1- InChIKey
VARXQVRLSBKZAP-UHFFFAOYSA-N- Molecular formula
- C16H22O3
- Average molar mass
- 262.34 g/mol
- Monoisotopic mass
- 262.15689456
Names & identifiers
- Preferred name
- 4-Methylpentyl 3-(4-methoxyphenyl)prop-2-enoate
- IUPAC
- 4-methylpentyl 3-(4-methoxyphenyl)prop-2-enoate
Names & synonyms
DTXSID80787140594835-14-04-METHYLPENTYL 3-(4-METHOXYPHENYL)PROP-2-ENOATE
Database identifiers
- CAS
594835-14-0- PubChem CID
- 71363625
- DTXSID
DTXSID80787140
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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