Methyl 6-(4-acetyl-3-hydroxyphenoxy)-2,2-dimethylhexanoate
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Basic information
- Standard SMILES
COC(=O)C(C)(C)CCCCOc1ccc(C(C)=O)c(O)c1- InChIKey
VARNCSDXNAQXSS-UHFFFAOYSA-N- Molecular formula
- C17H24O5
- Average molar mass
- 308.4 g/mol
Names & identifiers
- Preferred name
- Methyl 6-(4-acetyl-3-hydroxyphenoxy)-2,2-dimethylhexanoate
- IUPAC
- methyl 6-(4-acetyl-3-hydroxyphenoxy)-2,2-dimethylhexanoate
Names & synonyms
SCHEMBL10697115VARNCSDXNAQXSS-UHFFFAOYSA-Nmethyl 6-(4-acetyl-3-hydroxyphenoxy)-2,2-dimethylhexanoate
Database identifiers
- PubChem CID
- 20205844
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
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Related reactions
1 records
Compound notes
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