Basic information
- CAS
72928-23-5- Standard SMILES
CC(=O)C1CC=C(C)C(CC=C(C)C)C1- InChIKey
AAKUUHILWZWNCL-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- Ethanone, 1-(4-methyl-5-(3-methyl-2-buten-1-yl)-3-cyclohexen-1-yl)-
- IUPAC
- 1-[4-methyl-5-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]ethanone
- English name
- 1-[4-methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]ethan-1-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32
Names & synonyms
EINECS 277-057-52-(4-Methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl)ethan-2-oneEthanone, 1-(4-methyl-5-(3-methyl-2-buten-1-yl)-3-cyclohexen-1-yl)-Ethanone, 1-(4-methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl)-Ethanone, 1-[4-methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]-Ethanone, 1-[4-methyl-5-(3-methyl-2-buten-1-yl)-3-cyclohexen-1-yl]-RefChem:59250072928-23-51-[4-METHYL-5-(3-METHYL-2-BUTENYL)-3-CYCLOHEXEN-1-YL]ETHAN-1-ONE1-(4-Methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl)ethan-1-oneDTXSID50888310AAKUUHILWZWNCL-UHFFFAOYSA-N
Show more names
1-[4-Methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]ethanone
1-[4-methyl-5-(3-methylbut-2-en-1-yl)cyclohex-3-en-1-yl]ethan-1-oneNS00060646
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- EPA Substance Registry System
- 1 · Ethanone, 1-[4-methyl-5-(3-methyl-2-butenyl)-3-cyclohexen-1-yl]- (72928-23-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-[4-methyl-5-(3-methyl-2-buten-1-yl)-3-cyclohexen-1-yl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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