Basic information
- CAS
23985-25-3- Standard SMILES
C=CC(C)=CC(=O)CC(C)C- InChIKey
RJXKHBTYHGBOKV-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
2,6-Dimethylocta-5,7-dien-4-one has been reported in Swertia japonica, Tagetes minuta, and Tagetes erecta with data available.
Names & identifiers
- Preferred name
- 2,6-Dimethylocta-5,7-dien-4-one
- IUPAC
- 2,6-dimethylocta-5,7-dien-4-one
- English name
- 2,6-dimethylocta-5,7-dien-4-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
2,6-Dimethylocta-5,7-dien-4-one23985-25-3DTXSID80946836(E)-2,6-dimethyl-5,7-octadien-4-oneRefChem:83333DTXCID901375108TagetoneUNII-2D563ST07LEINECS 245-971-32,6-Dimethyl-5,7-octadien-4-oneSCHEMBL110186552D563ST07L
Show more names
5,7-Octadien-4-one, 2,6-dimethyl-NS00084771
Database identifiers
- CAS
23985-25-3- PubChem CID
- 91103
- DTXSID
DTXSID80946836- EC Number
- 245-971-3
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Boiling point
- 72 · 72-74 °C(Press: 4 Torr)
- Density
- 0.847 · 0.847±0.06 g/cm3(Predicted)
- LogP
- 2.543 · 2.543 (est)
- FDA UNII
- 2 D563ST07L · 2D563ST07L
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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