Basic information
- CAS
101913-71-7- Standard SMILES
CC(C)CCC(C)(CC(=O)O)c1ccccc1- InChIKey
YIHLJIOCTULOLG-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- 3,6-Dimethyl-3-phenylheptanoic acid
- IUPAC
- 3,6-dimethyl-3-phenylheptanoic acid
- English name
- 3,6-dimethyl-3-phenyl-heptanoic acid
- Molecular formula
- C15H22O2
- Molecular weight
- 0
Names & synonyms
3,6-Dimethyl-3-phenylheptanoic acid101913-71-7DTXSID50906806RefChem:1066086DTXCID8013359013,6-DIMETHYL-3-PHENYL-HEPTANOIC ACIDHydrocinnamic acid, beta-isopentyl-beta-methyl-HEPTANOIC ACID, 3,6-DIMETHYL-3-PHENYL-
Database identifiers
- CAS
101913-71-7- PubChem CID
- 59083
- DTXSID
DTXSID50906806- Nikkaji
- J58.120H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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