2-Methyl-5-isopropyl-1,3-nonadiene-8-one
Basic information
- CAS
99745-11-6- Standard SMILES
C=C(C)C=CC(CCC(C)=O)C(C)C- InChIKey
PQDRXUSSKFWCFA-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 2-Methyl-5-isopropyl-1,3-nonadiene-8-one
- IUPAC
- 8-methyl-5-propan-2-ylnona-6,8-dien-2-one
Names & synonyms
[R-(Z)]-5-isopropyl-8-methylnona-6,8-dien-2-oneSCHEMBL53062072-methyl-5-isopropyl-1,3-nonadiene-8-oneNS00048558NS00124457Solanone, EINECS 309-013-9, CID6437782, (R-(Z))-5-Isopropyl-8-methylnona-6,8-dien-2-one, 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (R-(Z))-, 99745-11-6
Database identifiers
- CAS
99745-11-6- PubChem CID
- 102778
- EC Number
- 309-013-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
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Related reactions
1 records
Compound notes
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