4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol

C19H36O2 — CID 139825054

IUPAC4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
SMILESCCCC(C)(C1CCC(O)C(C)C1)C1CCC(O)C(C)C1
InChIInChI=1S/C19H36O2/c1-5-10-19(4,15-6-8-17(20)13(2)11-15)16-7-9-18(21)14(3)12-16/h13-18,20-21H,5-12H2,1-4H3
InChIKeyVAOQLLGUYIBGJW-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.39
Rot. Bonds4

About 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol

4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol (PubChem CID 139825054) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
PubChem CID139825054
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
SMILESCCCC(C)(C1CCC(O)C(C)C1)C1CCC(O)C(C)C1
InChIInChI=1S/C19H36O2/c1-5-10-19(4,15-6-8-17(20)13(2)11-15)16-7-9-18(21)14(3)12-16/h13-18,20-21H,5-12H2,1-4H3
InChIKeyVAOQLLGUYIBGJW-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
CID 139825078
2-cyclopropylpentan-2-ylcyclobutane
CID 173163252
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508
(1R,2S,4R)-2,4-dimethylcyclohexan-1-ol
CID 12779510
cis-(1S,4R)-2,4-dimethylcyclohexan-1-ol
CID 172581179
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
CID 145098680
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol
CID 139753129
5-methyl-2-(2-methylpentan-2-yl)cyclohexan-1-ol
CID 64766519
2-methyl-2-(3-methylcyclopentyl)propan-1-ol
CID 130126553
2-(4-methylcyclohexyl)pentan-2-ol
CID 80557496

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol (CID 139825054) is 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol is CCCC(C)(C1CCC(O)C(C)C1)C1CCC(O)C(C)C1.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol?
The InChIKey is VAOQLLGUYIBGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-5-10-19(4,15-6-8-17(20)13(2)11-15)16-7-9-18(21)14(3)12-16/h13-18,20-21H,5-12H2,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol?
4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 139825054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).