Basic information
- Standard SMILES
COC(=O)c1ccc(CCCc2ccc(OCC(=O)C(C)(C)C)c(C)c2)cc1C(=O)OC- InChIKey
WNTXKBIPWUNJNT-UHFFFAOYSA-N- Molecular formula
- C26H32O6
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.21988874
Names & identifiers
- Preferred name
- Dimethyl 4-{3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]propyl}phthalate
- IUPAC
- dimethyl 4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]propyl]benzene-1,2-dicarboxylate
Names & synonyms
SCHEMBL5566469WNTXKBIPWUNJNT-UHFFFAOYSA-NDimethyl 4-{3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]propyl}phthalate
Database identifiers
- PubChem CID
- 17983003
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 637
Related reactions
2 records
Compound notes
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