Basic information
- CAS
35231-89-1- Standard SMILES
CC(C)c1cc(C(=O)O)c(OC(=O)C(C)(C)CC(C)(C)C)c(C(C)C)c1- InChIKey
NCBNWFVSFAWNBE-UHFFFAOYSA-N- Molecular formula
- C22H34O4
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.24570956
Names & identifiers
- Preferred name
- Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-
- IUPAC
- 3,5-di(propan-2-yl)-2-(2,2,4,4-tetramethylpentanoyloxy)benzoic acid
Names & synonyms
BRN 277114835231-89-1Benzoic acid, 3,5-bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)-DTXSID901887253,5-Bis(1-methylethyl)-2-((2,2,4,4-tetramethyl-1-oxopentyl)oxy)benzoic acidRefChem:327032DTXCID501112163,5-di(propan-2-yl)-2-[(2,2,4,4-tetramethylpentanoyl)oxy]benzoic acid
Database identifiers
- CAS
35231-89-1- PubChem CID
- 215214
- DTXSID
DTXSID90188725
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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