Basic information
- CAS
57625-35-1- Standard SMILES
CCCC1=CC2(OC)C(=CC1=O)OC(c1ccc(OC)c(OC)c1)C2C- InChIKey
SLMFJWTXIZCNBN-UHFFFAOYSA-N- Molecular formula
- C21H26O5
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.17802393
Overview
5-propyl analog of kadsurenone; structure given in first source
Names & identifiers
- Preferred name
- Dihydrokadsurenone
- IUPAC
- 2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-one
- English name
- dihydrokadsurenone
- Molecular formula
- C21H26O5
- Molecular weight
- 358.43
Names & synonyms
Dihydrokadsurenone57625-35-15-Propyl-2-(3,4-dimethoxyphenyl)-3a,alpha-methoxy-3-methyl-2,3,3a,6-tetrahydro-6-oxobenzofuranRefChem:1338536(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-propyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-6-oneDTXSID709731912-(3,4-Dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-3,3a-dihydro-1-benzofuran-6(2H)-one6(2H)-Benzofuranone, 2-(3,4-dimethoxyphenyl)-3,3a-dihydro-3a-methoxy-3-methyl-5-propyl-, (2S,3R,3aS)-
Database identifiers
- CAS
57625-35-1- PubChem CID
- 4487553
- DTXSID
DTXSID70973191
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 595
Physicochemical properties
- Boiling point
- 492.5 · 492.5±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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