Basic information
- CAS
53663-16-4- Standard SMILES
CCC(C)(CC(=O)O)Cc1ccccc1- InChIKey
VVENADADKLAPPZ-UHFFFAOYSA-N- Molecular formula
- C13H18O2
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.13067981
Names & identifiers
- Preferred name
- 3-Benzyl-3-methylpentanoic acid
- IUPAC
- 3-benzyl-3-methylpentanoic acid
- English name
- 3-Benzyl-3-methylpentanoicacid
- Molecular formula
- C13H18O2
- Molecular weight
- 206.28
Names & synonyms
3-benzyl-3-methylpentanoic acid53663-16-4DTXSID30279101RefChem:277014DTXCID30230257NSC112803-benzyl-3-methyl-pentanoic acidNSC-11280AKOS0159173093-Benzyl-3-methylpentanoicacidBenzenebutanoic acid, β-ethyl-β-methyl-3-methyl-3-(phenylmethyl)pentanoic acid
Database identifiers
- CAS
53663-16-4- PubChem CID
- 223545
- DTXSID
DTXSID30279101
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Chemistry & industry
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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