Methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2,2-dimethylhexanoate
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Basic information
- Standard SMILES
CCCc1c(OCCCCC(C)(C)C(=O)OC)ccc(C(C)=O)c1O- InChIKey
RBIOPXXYZJIVLG-UHFFFAOYSA-N- Molecular formula
- C20H30O5
- Average molar mass
- 350.4 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2,2-dimethylhexanoate
- IUPAC
- methyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2,2-dimethylhexanoate
Names & synonyms
SCHEMBL10690429RBIOPXXYZJIVLG-UHFFFAOYSA-Nmethyl 6-(4-acetyl-3-hydroxy-2-propylphenoxy)-2,2-dimethylhexanoate
Database identifiers
- PubChem CID
- 21294040
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 432
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Related reactions
5 records
Compound notes
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