Basic information
- CAS
93156-68-4- Standard SMILES
CC(CCCC(C)(C)c1ccccc1)CC(=O)O- InChIKey
UFKZMQRFWRINLL-UHFFFAOYSA-N- Molecular formula
- C16H24O2
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.17763
Names & identifiers
- Preferred name
- 3,7-Dimethyl-7-phenyloctanoic acid
- IUPAC
- 3,7-dimethyl-7-phenyloctanoic acid
Names & synonyms
3,7-Dimethyl-7-phenyloctanoic acid93156-68-4DTXSID50918641RefChem:1066152DTXCID901347587BRN 3309359OCTANOIC ACID, 3,7-DIMETHYL-7-PHENYL-4-09-00-01974 (Beilstein Handbook Reference)
Database identifiers
- CAS
93156-68-4- PubChem CID
- 56573
- DTXSID
DTXSID50918641- Nikkaji
- J65.648H
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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