Basic information
- CAS
119-89-1- Standard SMILES
CCCCCCC1=CC(=O)CC(c2ccc3c(c2)OCO3)C1- InChIKey
JBVNWTXRFKZNBQ-UHFFFAOYSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Names & identifiers
- Preferred name
- Piperonyl cyclonene
- IUPAC
- 5-(1,3-benzodioxol-5-yl)-3-hexylcyclohex-2-en-1-one
- English name
- 5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one
- Molecular formula
- C19H24O3
- Molecular weight
- 300.39
Names & synonyms
PIPERONYL CYCLONENERV88204E3PRefChem:1096348DTXSID401078408066-12-4119-89-15-(1,3-benzodioxol-5-yl)-3-hexylcyclohex-2-en-1-one3-Hexyl-5-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-onePiperonylcyklonen5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one2-Cyclohexen-1-one, 5-(1,3-benzodioxol-5-yl)-3-hexyl-Piperonylcyklonen [Czech]
Show more names
5-(1,3-Benzodioxol-5-yl)-3-hexyl-2-cyclohexen-1-one
BRN 0253168ENT 2,818UNII-RV88204E3P2-Cyclohexen-1-one, 3-hexyl-5-(3,4-(methylenedioxy)phenyl)-4-19-00-01802 (Beilstein Handbook Reference)PIPERONYL CYCLOHEXENONESCHEMBL460870DTXSID10922840
Database identifiers
- CAS
119-89-1- PubChem CID
- 8410
- DTXSID
DTXSID10922840- UNII
- RV88204E3P
- Nikkaji
- J22.300J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 88204 E3P · RV88204E3P
- EPA Substance Registry System
- 2 · 2-Cyclohexen-1-one, 5-(1,3-benzodioxol-5-yl)-3-hexyl- (119-89-1)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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