基本情報
- CAS
69882-09-3- 標準SMILES
CC(=O)C1CC2(C(C)C)C=CC1(C)CC2- InChIKey
FPUZVGQCOIRCIA-UHFFFAOYSA-N- 分子式
- C14H22O
- 平均分子量
- 206.32 g/mol
- 単同位体質量
- 206.16706532
名称と識別子
- 優先名称
- Ethanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
- IUPAC
- 1-(1-methyl-4-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)ethanone
名称と別名
EINECS 274-184-869882-09-31-(1(or 4)-Methyl-4(or 1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)ethanoneEthanone, 1-(1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)-1-Methyl-4-isopropyl-2(3)-acetylbicyclo(2.2.2)oct-5-eneEthanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-1-[1(or 4)-Methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]ethanoneRefChem:592398Ethanone, 1-1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo2.2.2oct-5-en-2-yl-SCHEMBL3505326FPUZVGQCOIRCIA-UHFFFAOYSA-NNS00121390
名称をさらに表示
1-(1(Or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo(2.2.2)oct-5-en-2-yl)ethan-1-one
データベース識別子
- CAS
69882-09-3- PubChem CID
- 112169
- EC Number
- 274-184-8
物性
構造計算による物性
- XLogP
- 3.8
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 315
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory Information
Chemical: Ethanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
Ethanone, 1-1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo2.2.2oct-5-en-2-yl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
化学と産業
用途と製造
General Manufacturing InformationEthanone, 1-[1(or 4)-methyl-4(or 1)-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-: INACTIVE
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