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

C20H38O2 — CID 139825078

IUPAC4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
SMILESCCCCC(C)(C1CCC(O)C(C)C1)C1CCC(O)C(C)C1
InChIInChI=1S/C20H38O2/c1-5-6-11-20(4,16-7-9-18(21)14(2)12-16)17-8-10-19(22)15(3)13-17/h14-19,21-22H,5-13H2,1-4H3
InChIKeySBKHTDMFMBERTO-UHFFFAOYSA-N
MW310.52 g/mol
LogP4.78
Rot. Bonds5

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

4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol (PubChem CID 139825078) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
PubChem CID139825078
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
SMILESCCCCC(C)(C1CCC(O)C(C)C1)C1CCC(O)C(C)C1
InChIInChI=1S/C20H38O2/c1-5-6-11-20(4,16-7-9-18(21)14(2)12-16)17-8-10-19(22)15(3)13-17/h14-19,21-22H,5-13H2,1-4H3
InChIKeySBKHTDMFMBERTO-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-hydroxy-3-methylcyclohexyl)pentan-2-yl]-2-methylcyclohexan-1-ol
CID 139825054
4-[2-(4-hydroxycyclohexyl)hexan-2-yl]cyclohexan-1-ol
CID 139753129
(1S)-2,4-dimethylcyclohexan-1-ol
CID 143035345
(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
4-(3,3-dimethylbutyl)-2-methylcyclohexan-1-ol;ethane;propane
CID 145098680
(2S)-2-methyl-4-propylcyclohexan-1-ol
CID 177268723
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
2,6-ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
CID 139824859
4-[4-(4-hydroxycyclohexyl)octan-4-yl]cyclohexan-1-ol
CID 139824861
2,5-dimethyl-4-propylcyclohexan-1-ol
CID 58534195

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol?
The IUPAC name of 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol (CID 139825078) is 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol?
The canonical SMILES for 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol is CCCCC(C)(C1CCC(O)C(C)C1)C1CCC(O)C(C)C1.
What is the InChIKey of 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol?
The InChIKey is SBKHTDMFMBERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-5-6-11-20(4,16-7-9-18(21)14(2)12-16)17-8-10-19(22)15(3)13-17/h14-19,21-22H,5-13H2,1-4H3.
What are the key properties of 4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol?
4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol has a molecular weight of 310.52 g/mol, XLogP of 4.78, 5 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)hexan-2-yl]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 139825078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).