HCID66603642

[1-(Hydroxymethyl)-4-methylene-cyclohexyl]methanol

[1-(hydroxymethyl)-4-methylidenecyclohexyl]methanol

C9H16O2156.22 g/mol

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IDENTITY

结构与身份

标准SMILES: C=C1CCC(CO)(CO)CC1
InChIKey: KNEHDOLJHKRNPY-UHFFFAOYSA-N
分子式: C9H16O2
平均分子量: 156.22 g/mol
单同位素质量: 156.11502975

COMPUTED

结构计算性质

已同步

XLogP: 0.5
极性表面积: 40.5 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 136

ALIASES

名称与别名

共 14 条

1354932-12-9[1-(Hydroxymethyl)-4-methylene-cyclohexyl]methanol[1-(hydroxymethyl)-4-methylidenecyclohexyl]methanolMFCD28362206(4-Methylenecyclohexane-1,1-diyl)dimethanol1,1-bis(hydroxymethyl)-4-methylenecyclohexanestarbld0041309SCHEMBL135594KNEHDOLJHKRNPY-UHFFFAOYSA-NAS-79227SY323024CS-0309989P20795F719333

REACTIONS

参与反应

3 条

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08580962B2

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08580962B2

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Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

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