3-(1,1-Dimethyldecyl)-4-methoxybenzoic acid
Basic information
- Standard SMILES
CCCCCCCCCC(C)(C)c1cc(C(=O)O)ccc1OC- InChIKey
YNUZPPIZFMKDLF-UHFFFAOYSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Names & identifiers
- Preferred name
- 3-(1,1-Dimethyldecyl)-4-methoxybenzoic acid
- IUPAC
- 4-methoxy-3-(2-methylundecan-2-yl)benzoic acid
Names & synonyms
SCHEMBL9132226YNUZPPIZFMKDLF-UHFFFAOYSA-N3-(1,1-dimethyldecyl)-4-methoxybenzoic acid3-(1,1-dimethyldecyl)-4-methoxy benzoic acid
Database identifiers
- PubChem CID
- 13633558
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 338
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Related reactions
6 records
Compound notes
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