trans-4-Methylcyclohexanol methanesulfonate

HCID 22492941CAS 18508-93-5

基本情報

標準SMILES: CC1CCC(OS(C)(=O)=O)CC1
InChIKey: PIYQHONGOGJIQQ-UHFFFAOYSA-N
分子式: C8H16O3S
平均分子量: 192.28 g/mol

名称と識別子

優先名称: trans-4-Methylcyclohexanol methanesulfonate
IUPAC: (4-methylcyclohexyl) methanesulfonate

名称と別名

TRANS-4-METHYLCYCLOHEXANOL METHANESULFONATE18508-92-4(4-methylcyclohexyl) methanesulfonateRel-(1r,4r)-4-methylcyclohexyl methanesulfonatetrans-4-Methyl-cyclohexanol Methanesulfonate4-methylcyclohexyl methanesulfonateSCHEMBL5639385SCHEMBL6132278SCHEMBL6135269PIYQHONGOGJIQQ-OCAPTIKFSA-NPIYQHONGOGJIQQ-UHFFFAOYSA-NPIYQHONGOGJIQQ-ZKCHVHJHSA-N

名称をさらに表示

DTXSID301232958AKOS026733960cis-4-methylcyclohexyl methanesulfonatetrans-4-methylcyclohexyl methanesulfonate18508-93-5DB-299320(1s,4s)-4-Methylcyclohexyl methanesulfonatemethanesulfonic acid cis-4-methyl-cyclohexyl ester

データベース識別子

CAS: 18508-93-5
PubChem CID: 22492941
DTXSID: DTXSID301232958

物性

構造計算による物性

XLogP: 1.7
極性表面積: 51.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 219