7-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1c(C)c(C)c(OC)c(C(CCCCC(C)(C)C(=O)O)c2ccccc2)c1C- InChIKey
CTOQDLGAJUYJTD-UHFFFAOYSA-N- Molecular formula
- C26H36O4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.26135963
Names & identifiers
- Preferred name
- 7-(2,5-Dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid
- IUPAC
- 7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid
Names & synonyms
SCHEMBL9308454CTOQDLGAJUYJTD-UHFFFAOYSA-N7-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethyl-7-phenylheptanoic acid
Database identifiers
- PubChem CID
- 19088074
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 525
Related reactions
3 records
Compound notes
Loading…