Basic information
- CAS
30810-99-2- Standard SMILES
C=CC1(C)CCC(C(C)C(=O)CC=C(C)C)O1- InChIKey
FJKKZNIYYVEYOL-UHFFFAOYSA-N- Molecular formula
- C15H24O2
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.17763
Overview
Davanone is a member of oxolanes.
Names & identifiers
- Preferred name
- Davanone
- IUPAC
- 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one
- English name
- 5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-
- Molecular formula
- C15H24O2
- Molecular weight
- 236.35
Names & synonyms
Davanone2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-oneRefChem:91968430810-99-2Davanone C5-Hepten-3-one, 2-(5-ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-Hepten-3-one, 6-methyl-2-(tetrahydro-5-methyl-5-vinyl-2-furyl)-6-Methyl-2-(5-methyl-5-vinyltetrahydro-2-furanyl)-5-hepten-3-one #SCHEMBL29409799EX-A9091KCHEBI:173721FJKKZNIYYVEYOL-UHFFFAOYSA-N
Show more names
DTXSID5011639512-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-hepten-3-one2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-6-methyl-5-hepten-3-one, 9CI
Database identifiers
- CAS
30810-99-2- PubChem CID
- 519782
- DTXSID
DTXSID501163951- ChEBI
CHEBI:173721
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 312.5 · 312.5±30.0 °C(Predicted)
- Density
- 0.967 · 0.967±0.06 g/cm3(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
Additional notes
DefinitionChEBI: Davanone is a member of oxolanes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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