HCID642498

AG-G-83630

cis-(3S,5R)-3,5-dimethylcyclohexan-1-one

C8H14O126.2 g/molCAS 7214-52-0

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IDENTITY

结构与身份

标准SMILES: C[C@@H]1CC(=O)C[C@H](C)C1
InChIKey: MSANHHHQJYQEOK-KNVOCYPGSA-N
分子式: C8H14O
平均分子量: 126.2 g/mol
单同位素质量: 126.10446507

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 106

ALIASES

名称与别名

共 17 条

7214-52-0DTXSID20349024AG-G-83630RefChem:1076210DTXCID40300096cis-3,5-Dimethylcyclohexanone(3R,5S)-3,5-dimethylcyclohexan-1-one(3R,?5S)?-?rel-3,5-Dimethylcyclohexanone(3R,5S)-3,5-dimethylcyclohexanone3,5-Dimethylcyclohexanone #cis-3,5-dimethyl cyclohexanoneSCHEMBL3664749AKOS006274382(3R,5S)-rel-3,5-Dimethylcyclohexanonecyclohexanone, 3,5-dimethyl-, (3R,5S)-DB-369932InChI=1/C8H14O/c1-6-3-7(2)5-8(9)4-6/h6-7H,3-5H2,1-2H3/t6-,7

REACTIONS

参与反应

2 条

uspto-grants-1999_06 · 10.6084/m9.figshare.5104873.v1 · US05917034

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uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07332485B2

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