Basic information
- CAS
18354-27-3- Standard SMILES
Cc1c(C(C)C)cc(C(C)C)c(C)c1C(=O)O- InChIKey
CKZVJRAHZOBJTJ-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
- Monoisotopic mass
- 234.16197994
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-diisopropyl-2,6-dimethyl-
- IUPAC
- 2,6-dimethyl-3,5-di(propan-2-yl)benzoic acid
- English name
- 3,5-Diisopropyl-2,6-dimethylbenzoic acid
- Molecular formula
- C15H22O2
- Molecular weight
- 234.33
Names & synonyms
18354-27-3BENZOIC ACID, 3,5-DIISOPROPYL-2,6-DIMETHYL-RefChem:10790473,5-Diisopropyl-2,6-dimethylbenzoic acid2,6-dimethyl-3,5-di(propan-2-yl)benzoic acidBRN 3092733DTXSID00939725Benzoic acid, 2,6-dimethyl-3,5-bis(1-methylethyl)-
Database identifiers
- CAS
18354-27-3- PubChem CID
- 29039
- DTXSID
DTXSID00939725- Nikkaji
- J83.352E
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 250
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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