2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane

C22H44O — CID 142421434

IUPAC2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
SMILESC.CC1CCC(C2CC(C(C)(C)C)C(O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C21H40O.CH4/c1-14-8-10-15(11-9-14)16-12-17(20(2,3)4)19(22)18(13-16)21(5,6)7;/h14-19,22H,8-13H2,1-7H3;1H4
InChIKeyUEHXLCAXGNRHQI-UHFFFAOYSA-N
MW324.59 g/mol
LogP6.54
Rot. Bonds1

About 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane

2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane (PubChem CID 142421434) has the molecular formula C22H44O and a molecular weight of 324.59 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
PubChem CID142421434
Molecular FormulaC22H44O
Molecular Weight324.59 g/mol
Exact Mass324.34
IUPAC Name2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane
SMILESC.CC1CCC(C2CC(C(C)(C)C)C(O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C21H40O.CH4/c1-14-8-10-15(11-9-14)16-12-17(20(2,3)4)19(22)18(13-16)21(5,6)7;/h14-19,22H,8-13H2,1-7H3;1H4
InChIKeyUEHXLCAXGNRHQI-UHFFFAOYSA-N
XLogP6.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.59
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
trans-(2R,6R)-2,6-ditert-butyl-4-methylcyclohexan-1-ol
CID 7037526
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
1,3-ditert-butyl-2-methyl-5-(4-propylcyclohexyl)cyclohexane
CID 158003690
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
CID 70917025
1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane
CID 122534276
3-tert-butylcyclobutane-1,2-diol
CID 12791413
(1S)-1-methyl-4-(4-methylcyclohexyl)-2-(trifluoromethyl)cyclohexane
CID 59912966
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane?
The IUPAC name of 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane (CID 142421434) is 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane.
What is the SMILES notation for 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane?
The canonical SMILES for 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane is C.CC1CCC(C2CC(C(C)(C)C)C(O)C(C(C)(C)C)C2)CC1.
What is the InChIKey of 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane?
The InChIKey is UEHXLCAXGNRHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O.CH4/c1-14-8-10-15(11-9-14)16-12-17(20(2,3)4)19(22)18(13-16)21(5,6)7;/h14-19,22H,8-13H2,1-7H3;1H4.
What are the key properties of 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane?
2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane has a molecular weight of 324.59 g/mol, XLogP of 6.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-(4-methylcyclohexyl)cyclohexan-1-ol;methane is sourced from PubChem (CID 142421434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).