dimethoxy(2H6)oxolane

• ChemBase编号: 134907
• 分子式: C6H12O3
• 平均质量: 132.15768
• 单一同位素质量: 132.07864424
• SMILES: C1CC(OC1OC)OC
• Canonical SMILES: COC1CCC(O1)OC
• InChI: InChI=1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
• InChIKey: GFISDBXSWQMOND-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethoxy(^2H₆)oxolane
• IUPAC传统名: dimethoxy(^2H₆)oxolane
• 别名: 2,5-二甲氧基四氢呋喃-2,3,3,4,4,5-d6; 2,5-Dimethoxytetrahydrofuran-2,3,3,4,4,5-d6

登记号

• MDL号: MFCD04118281
• PubChem SID: 162229183
• PubChem CID: 57608096

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 0.6307491
• LogD (pH = 7.4): 0.6307491
• Log P: 0.6307491
• 摩尔折射率: 32.3365 cm^3
• 极化性: 13.178978 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 145-147 °C(lit.)
• 密度: 1.02 g/mL at 25 °C
• 质量偏移: M+6

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 138.08 by atom % calculation
• Empirical Formula (Hill Notation): C6D6H6O3

详细说明

Sigma Aldrich - 615781

包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.