2,3,3-Trimethyl-2-(3-methylbuta-1,3-dien-1-yl)cyclohexan-1-one
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Basic information
- CAS
69296-90-8- Standard SMILES
C=C(C)C=CC1(C)C(=O)CCCC1(C)C- InChIKey
BUIXYBRVJFSDRY-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 2,3,3-Trimethyl-2-(3-methylbuta-1,3-dien-1-yl)cyclohexan-1-one
- IUPAC
- 2,3,3-trimethyl-2-(3-methylbuta-1,3-dienyl)cyclohexan-1-one
- English name
- 2,3,3-Trimethyl-2-[(Z)-3-methyl-1,3-butadien-1-yl]cyclohexanone
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
DTXSID303421822,3,3-Trimethyl-2-(3-methylbuta-1,3-dien-1-yl)cyclohexan-1-one69296-90-82,3,3-Trimethyl-2-[(Z)-3-methyl-1,3-butadien-1-yl]cyclohexanoneCyclohexanone, 2,3,3-trimethyl-2-[(1Z)-3-methyl-1,3-butadien-1-yl]-
Database identifiers
- CAS
69296-90-8- PubChem CID
- 579449
- DTXSID
DTXSID30342182
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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