8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-one
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Basic information
- CAS
18196-01-5- Standard SMILES
COc1cc(OC)c2ccc(=O)oc2c1C[C@H]1OC1(C)C- InChIKey
UOEQXGRDVIMHFZ-CYBMUJFWSA-N- Molecular formula
- C16H18O5
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.11542367
Overview
8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-one has been reported in Lomatium macrocarpum, Murraya paniculata, and Murraya caloxylon with data available.
Names & identifiers
- Preferred name
- 8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-one
- IUPAC
- 8-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-one
- English name
- (+)-8-[(3,3-Dimethyloxiran-2-yl)methyl]-5,7-dimethoxy-2H-1-benzopyran-2-one
- Molecular formula
- C16H18O5
- Molecular weight
- 290.31
Names & synonyms
18196-01-58-[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-5,7-dimethoxychromen-2-oneSibiricin(+)-8-[(3,3-Dimethyloxiran-2-yl)methyl]-5,7-dimethoxy-2H-1-benzopyran-2-one(+)-SibiricinC16H18O5Coumarin, 8-(2,3-epoxy-3-methylbutyl)-5,7-dimethoxy-DTXSID909395128-[(3,3-Dimethyloxiran-2-yl)methyl]-5,7-dimethoxy-2H-1-benzopyran-2-one8-{[(2R)-3,3-Dimethyloxiran-2-yl]methyl}-5,7-dimethoxy-2H-1-benzopyran-2-one2H-1-Benzopyran-2-one, 8-[[(2R)-3,3-dimethyl-2-oxiranyl]methyl]-5,7-dimethoxy-
Database identifiers
- CAS
18196-01-5- PubChem CID
- 176971
- DTXSID
DTXSID90939512
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 460.7 · 460.7±45.0 °C(Predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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