1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C19H36O2 — CID 118516265

IUPAC1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C2(O)CC(C)CCC2C(C)C)C(O)C1
InChIInChI=1S/C19H36O2/c1-12(2)17-9-7-14(4)11-19(17,21)15(5)16-8-6-13(3)10-18(16)20/h12-18,20-21H,6-11H2,1-5H3
InChIKeyVGBIVMVAISJCRJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP4.24
Rot. Bonds3

About 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 118516265) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID118516265
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C2(O)CC(C)CCC2C(C)C)C(O)C1
InChIInChI=1S/C19H36O2/c1-12(2)17-9-7-14(4)11-19(17,21)15(5)16-8-6-13(3)10-18(16)20/h12-18,20-21H,6-11H2,1-5H3
InChIKeyVGBIVMVAISJCRJ-UHFFFAOYSA-N
XLogP4.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
1-but-3-en-2-yl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 72951939
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
(1R)-4-methylcyclohexane-1,2-diol
CID 89138285
(1S,2S,4R)-4-methyl-2-propan-2-ylcyclohexan-1-ol
CID 15605903
2-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]acetonitrile
CID 11321509
CID 11151972
CID 11151972
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
lithium 2,5-dimethylcyclohexan-1-ol
CID 18764144
dodecanoic acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 122703177

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 118516265) is 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C2(O)CC(C)CCC2C(C)C)C(O)C1.
What is the InChIKey of 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is VGBIVMVAISJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-12(2)17-9-7-14(4)11-19(17,21)15(5)16-8-6-13(3)10-18(16)20/h12-18,20-21H,6-11H2,1-5H3.
What are the key properties of 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-4-methylcyclohexyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 118516265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).