3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid

C23H40O3 — CID 140526679

IUPAC3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid
SMILESCC(C1CCCCC1)C1CC(C(=O)O)C(O)C(C(C)C2CCCCC2)C1
InChIInChI=1S/C23H40O3/c1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18/h15-22,24H,3-14H2,1-2H3,(H,25,26)
InChIKeyQLSQHWAITKSZSB-UHFFFAOYSA-N
MW364.57 g/mol
LogP5.51
Rot. Bonds5

About 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid

3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid (PubChem CID 140526679) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid
PubChem CID140526679
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid
SMILESCC(C1CCCCC1)C1CC(C(=O)O)C(O)C(C(C)C2CCCCC2)C1
InChIInChI=1S/C23H40O3/c1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18/h15-22,24H,3-14H2,1-2H3,(H,25,26)
InChIKeyQLSQHWAITKSZSB-UHFFFAOYSA-N
XLogP5.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentylethylcyclohexane
CID 57034702
4-hydroxy-5-propan-2-ylcyclohexane-1,3-dicarboxylic acid
CID 168747858
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
1-cyclopropylethylcyclopentane
CID 147777183
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid
CID 70108075
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81385531
3-[4-(1-cyclohexylethyl)cyclohexyl]-2-methylprop-2-enoic acid
CID 67084326
2-cyclohexylpropanoyl chloride
CID 3016042
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid (CID 140526679) is 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid is CC(C1CCCCC1)C1CC(C(=O)O)C(O)C(C(C)C2CCCCC2)C1.
What is the InChIKey of 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is QLSQHWAITKSZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O3/c1-15(17-9-5-3-6-10-17)19-13-20(22(24)21(14-19)23(25)26)16(2)18-11-7-4-8-12-18/h15-22,24H,3-14H2,1-2H3,(H,25,26).
What are the key properties of 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid?
3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 364.57 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 140526679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).