Basic information
- Standard SMILES
COC(=O)c1ccc(OCCC(C)CCCC(C)C)cc1- InChIKey
MERLLNOMNMDGLJ-UHFFFAOYSA-N- Molecular formula
- C18H28O3
- Average molar mass
- 292.4 g/mol
Names & identifiers
- Preferred name
- Methyl[4-(3,7-dimethyl-1-octyloxy)]benzoate
- IUPAC
- methyl 4-(3,7-dimethyloctoxy)benzoate
Names & synonyms
SCHEMBL29974918MERLLNOMNMDGLJ-UHFFFAOYSA-Nmethyl[4-(3,7-dimethyl-1-octyloxy)]benzoatemethyl [4-(3,7-dimethyl-1-octyloxy)]benzoate
Database identifiers
- PubChem CID
- 86243292
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Related reactions
4 records
Compound notes
Loading…