HCID793726

trans-4'-Propyl-(1,1'-bicyclohexyl)-4-carboxylic Acid

4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid

C16H28O2252.39 g/molCAS 171337-48-7

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IDENTITY

结构与身份

标准SMILES: CCCC1CCC(C2CCC(C(=O)O)CC2)CC1
InChIKey: JXPGQFKJNKWDKP-UHFFFAOYSA-N
分子式: C16H28O2
平均分子量: 252.39 g/mol
单同位素质量: 252.20893013

COMPUTED

结构计算性质

等待补全

XLogP: 5.7
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 258

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 52 条

65355-32-0trans-4'-Propyl-(1,1'-bicyclohexyl)-4-carboxylic Acid83860-51-94-(4-propylcyclohexyl)cyclohexane-1-carboxylic AcidMFCD058644074-(4-propylcyclohexyl)cyclohexanecarboxylic acid[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-propyl-, (trans,trans)-4'-Propyl-[1,1'-bi(cyclohexane)]-4-carboxylic acidtrans-4-(trans-4-Propylcyclohexyl)cyclohexanecarboxylic Acid4'-Propyl-[1,1'-bicyclohexyl]-4-carboxylic acid4'-propyl-1,1'-bi(cyclohexyl)-4-carboxylic acid4-(Trans-4-Propylcyclohexyl)cyclohexanecarboxylic acid[1,1'-bicyclohexyl]-4-carboxylic acid, 4'-propyl-765943-71-3(trans,trans)-4'-Propyl-[1,1'-bicyclohexyl]-4-carboxylic Acid; trans-4-(4-Propylcyclohexyl)cyclohexanecarboxylic Acid; trans-4-(trans-4-Propylcyclohexyl)cyclohexanecarboxylic Acid;(Trans,Trans)-4-Propyl-[1,1-Bicyclohexyl]-4-Carboxylic Acid4'-Propylbi(cyclohexane)-4-carboxylic acidOprea1_318804SCHEMBL1310398SCHEMBL3275198

REACTIONS

参与反应

8 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04564694

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uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08298632B2

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uspto-grants-1987_09 · 10.6084/m9.figshare.5104873.v1 · US04694098

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