(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane

C22H42 — CID 546182

IUPAC(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
SMILESCC(C)(C)C(C1CCCCC1)C(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C22H42/c1-21(2,3)19(17-13-9-7-10-14-17)20(22(4,5)6)18-15-11-8-12-16-18/h17-20H,7-16H2,1-6H3
InChIKeyYOQYKLJENHAOQM-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.47
Rot. Bonds3

About (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane

(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane (PubChem CID 546182) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane.

Molecular Properties

Compound Name(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
PubChem CID546182
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane
SMILESCC(C)(C)C(C1CCCCC1)C(C1CCCCC1)C(C)(C)C
InChIInChI=1S/C22H42/c1-21(2,3)19(17-13-9-7-10-14-17)20(22(4,5)6)18-15-11-8-12-16-18/h17-20H,7-16H2,1-6H3
InChIKeyYOQYKLJENHAOQM-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
1-cyclohexyl-3,3-dimethylbutane-1,2-diamine
CID 85238914
(1-chloro-3,3-dimethylbutan-2-yl)cycloheptane
CID 83142657
3-tert-butyl-2,2,4,4-tetramethylpentane;2,2,4,4-tetramethylpentan-3-ylcyclopentane
CID 159588674
1,1-dicyclohexylpropane-2,2-diol
CID 141350052
(1-cycloheptadecyl-2-methylpropyl)cycloheptadecane
CID 123633331
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
methane;propan-2-ylcyclotetradecane
CID 159882779
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
1-cyclopentylethylcyclohexane
CID 57034702
1-cycloheptylpropane-1,2-diol
CID 103452573
4,4-dimethylhexan-3-ylcyclohexane;methane
CID 170707005

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane?
The IUPAC name of (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane (CID 546182) is (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane.
What is the SMILES notation for (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane?
The canonical SMILES for (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane is CC(C)(C)C(C1CCCCC1)C(C1CCCCC1)C(C)(C)C.
What is the InChIKey of (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane?
The InChIKey is YOQYKLJENHAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-21(2,3)19(17-13-9-7-10-14-17)20(22(4,5)6)18-15-11-8-12-16-18/h17-20H,7-16H2,1-6H3.
What are the key properties of (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane?
(4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane has a molecular weight of 306.58 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-2,2,5,5-tetramethylhexan-3-yl)cyclohexane is sourced from PubChem (CID 546182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).