CAS 39668-87-6 Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)- (HCID 13734319)

基本情報

CAS: 39668-87-6
標準SMILES: CC1CCC(C(C)C)C(C(=O)Cl)C1
InChIKey: XZZVZSVCQGUKOJ-UHFFFAOYSA-N
分子式: C11H19ClO
平均分子量: 202.72 g/mol
単同位体質量: 202.11244291

名称と識別子

優先名称: Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-
IUPAC: 5-methyl-2-propan-2-ylcyclohexane-1-carbonyl chloride
現地名: 5-メチル-2-(1-メチルエチル)シクロヘキサンカルボン酸クロリド
英語名: Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)- (9CI)
分子式: C11H19ClO
分子量: 202.72

名称と別名

Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)-DTXSID7088578039668-87-6RefChem:129558DTXCID001025142menthoyl chloridementhanoyl chloridep-menthoyl chloridep-menth-3-oyl chloride(1R,3R,4S)-p-Menthane-3-carboxylic acid chlorideMenthane-3-carbonyl chlorideSCHEMBL291653

名称をさらに表示

5-メチル-2-(1-メチルエチル)シクロヘキサンカルボン酸クロリド5-メチル-2-(プロパン-2-イル)シクロヘキサン-1-カルボニルクロリドp-menthanecarboxyl chloride5-Methyl-2-(1-methylethyl)cyclohexanecarboxylic acid chlorideCyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)- (9CI)

p-menthane-3-carbonyl chloride5-methyl-2-(propan-2-yl)cyclohexane-1-carbonyl chloride(-)-3-Menthancarbonsaurechloridp-Menthane carboxylic acid chloride(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexanecarbonyl chloride; (-)-Menthylformyl chloride; (1R,3R,4S)-p-Menthane-3-carbonyl chloridep-Menthane-3-carboxylic acid chloride

データベース識別子

CAS: 39668-87-6
PubChem CID: 13734319
DTXSID: DTXSID70885780
Nikkaji: J422.406J

物性

構造計算による物性

XLogP: 4.3
極性表面積: 17.1 Å²
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: 13
形式電荷: 0
複雑度: 189

物理化学的性質

沸点: 240.7 · 240.7±9.0 °C(Predicted)
比重(密度): 0.99 · 0.990±0.06 g/cm3(Predicted)
EPAの化学物質情報: 5 · Cyclohexanecarbonyl chloride, 5-methyl-2-(1-methylethyl)- (39668-87-6)