5-((5-(3,3-Dimethyloxiranyl)-3-methylallyl)oxy)benzo-1,3-dioxole
Basic information
- CAS
21213-68-3- Standard SMILES
C/C(=C\COc1ccc2c(c1)OCO2)CCC1OC1(C)C- InChIKey
LTERBDAWQYNNFX-XYOKQWHBSA-N- Molecular formula
- C17H22O4
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.15180918
Names & identifiers
- Preferred name
- 5-((5-(3,3-Dimethyloxiranyl)-3-methylallyl)oxy)benzo-1,3-dioxole
- IUPAC
- 5-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-1,3-benzodioxole
Names & synonyms
21213-68-3Methylenedioxyphenyl-6,7-epoxy geraniol etherEINECS 244-273-6BRN 50625655-((5-(3,3-Dimethyloxiranyl)-3-methylallyl)oxy)benzo-1,3-dioxoleMethylenedioxy-phenyl-6,7-epoxy-geraniol etherLTERBDAWQYNNFX-XYOKQWHBSA-N5-(3,7-Dimethyl-6,7-epoxy-2-octenyloxy)-1,3-benzodioxole1,3-BENZODIOXOLE, 5-(3,7-DIMETHYL-6,7-EPOXY-2-OCTENYLOXY)-
Database identifiers
- CAS
21213-68-3- PubChem CID
- 6433775
- EC Number
- 244-273-6
- Nikkaji
- J71.474G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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