Basic information
- Standard SMILES
CCCCCC(C)CCCCc1ccc(C(=O)O)cc1- InChIKey
WHXMPCKINVMGHK-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- 4-(5'-Methyldecyl)benzoic acid
- IUPAC
- 4-(5-methyldecyl)benzoic acid
Names & synonyms
SCHEMBL105251924-(5'-methyldecyl)benzoic acidWHXMPCKINVMGHK-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19851075
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 254
Related reactions
2 records
Compound notes
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