1,3-Benzodioxole, 5-((6,7-epoxy-3-ethyl-7-methyl-2-octenyl)oxy)-
Basic information
- CAS
38473-85-7- Standard SMILES
CC/C(=C\COc1ccc2c(c1)OCO2)CCC1OC1(C)C- InChIKey
HIMXPXMSCOBVMS-UKTHLTGXSA-N- Molecular formula
- C18H24O4
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.16745924
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-((6,7-epoxy-3-ethyl-7-methyl-2-octenyl)oxy)-
- IUPAC
- 5-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-ethylpent-2-enoxy]-1,3-benzodioxole
Names & synonyms
1,3-BENZODIOXOLE, 5-((6,7-EPOXY-3-ETHYL-7-METHYL-2-OCTENYL)OXY)-1836GLX6WI5-(6,7-Epoxy-3-ethyl-7-methyl-2-octenyloxy)-1,3-benzodioxole3,4-Methylenedioxyphenyl 6,7-epoxy-3-ethyl-7-methyl-2-octene etherUNII-1836GLX6WI1,3-Benzodioxole, 5-(5-(3,3-dimethyloxiranyl)-3-ethyl-2-pentenyl)-
Database identifiers
- CAS
38473-85-7- PubChem CID
- 6434243
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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