Basic information
- CAS
30316-20-2- Standard SMILES
COC(=O)CC(C)Cc1cc(C)ccc1C- InChIKey
JZXYPBKEOMQQKA-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- Methyl 4-(2,5-dimethylphenyl)-3-methylbutanoate
- IUPAC
- methyl 4-(2,5-dimethylphenyl)-3-methylbutanoate
- English name
- 3-Methyl-4-(2,5-dimethylphenyl)butyric acid methyl ester
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
Methyl 4-(2,5-dimethylphenyl)-3-methylbutanoate30316-20-2DTXSID20341942RefChem:355329DTXCID10293022Butyric acid, 3-methyl-4-(2,5-xylyl)-, methyl esterJZXYPBKEOMQQKA-UHFFFAOYSA-NMethyl 4-(2,5-dimethylphenyl)-3-methylbutanoate #3-Methyl-4-(2,5-dimethylphenyl)butyric acid methyl ester
Database identifiers
- CAS
30316-20-2- PubChem CID
- 577182
- DTXSID
DTXSID20341942- Nikkaji
- J113.345D
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
- 16
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…