4-Vinyl-1-cyclohexene

HCID 7499CAS 100-40-3

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

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

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