基本情報
- 標準SMILES
C=CC1CC=CCC1- InChIKey
BBDKZWKEPDTENS-UHFFFAOYSA-N- 分子式
- C8H12
- 平均分子量
- 108.18 g/mol
- 単同位体質量
- 108.09390038
概要
4-Vinylcyclohexene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC). It can cause female reproductive toxicity according to an independent committee of scientific and health experts. It can cause male reproductive toxicity according to California Labor Code.
名称と識別子
- 優先名称
- 4-Vinyl-1-cyclohexene
- IUPAC
- 4-ethenylcyclohexene
名称と別名
4-Vinylcyclohexene4-VINYL-1-CYCLOHEXENE4-EthenylcyclohexeneCyclohexenylethyleneCyclohexene, 4-vinyl-4-Ethenyl-1-cyclohexene1-Vinylcyclohexene-3Ethenyl-1-cyclohexeneNCI-C549991,2,3,4-TetrahydrostyreneDTXSID3021437212JQJ15PS
名称をさらに表示
NSC-15760DTXCID601437RefChem:100580202-848-9Butadiene dimer4-vinylcyclohex-1-ene1-Cyclohexene, 4-vinyl-4-ethenylcyclohex-1-ene
データベース識別子
- CAS
100-40-3- PubChem CID
- 7499
- DTXSID
DTXSID3021437- ChEMBL
CHEMBL1330194- ChEBI
CHEBI:82377- UNII
- 212JQJ15PS
- Nikkaji
- J4.005C
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 101
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
化学と産業
薬理情報
Metabolism/Metabolites4-VINYLCYCLOHEXENE has known human metabolites that include 1,2-Epoxy-4-vinylcyclohexane and Epoxy-4-vinylcyclohexene.
関連反応
16 件
関連ノート
読み込み中…