Basic information
- Standard SMILES
COC(=O)C(C)(C)C(=O)c1cc2c(c(OC)c1)OC(C)(C)C2- InChIKey
DNLCXSNPAJHQCT-UHFFFAOYSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1467238
Names & identifiers
- Preferred name
- Methyl 3-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethyl-3-oxopropanoate
- IUPAC
- methyl 3-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2-dimethyl-3-oxopropanoate
Names & synonyms
SCHEMBL2321653DNLCXSNPAJHQCT-UHFFFAOYSA-Nmethyl 3-(7-methoxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethyl-3-oxopropanoate
Database identifiers
- PubChem CID
- 67363296
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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