tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen

C35H78 — CID 160864488

IUPACtetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
SMILESC.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.[H][H]
InChIInChI=1S/4C8H16.3CH4.H2/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;3*1H4;1H
InChIKeySKXSNQXDWUHGNK-UHFFFAOYSA-N
MW499.01 g/mol
LogP13.48
Rot. Bonds

About tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen

tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen (PubChem CID 160864488) has the molecular formula C35H78 and a molecular weight of 499.01 g/mol. Its IUPAC name is tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen.

Molecular Properties

Compound Nametetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
PubChem CID160864488
Molecular FormulaC35H78
Molecular Weight499.01 g/mol
Exact Mass498.61
IUPAC Nametetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
SMILESC.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.[H][H]
InChIInChI=1S/4C8H16.3CH4.H2/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;3*1H4;1H
InChIKeySKXSNQXDWUHGNK-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
CID 159297560
bis(1,4-dimethylcyclohexane);methane
CID 161326462
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
ethane;methane;methylcyclopropane
CID 159551011
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;bis(1,4-xylene)
CID 160768491
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
1,2,3,4,7-pentamethylcyclononane
CID 123773414
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen?
The IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen (CID 160864488) is tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen.
What is the SMILES notation for tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen?
The canonical SMILES for tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen is C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.[H][H].
What is the InChIKey of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen?
The InChIKey is SKXSNQXDWUHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16.3CH4.H2/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;3*1H4;1H.
What are the key properties of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen?
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen has a molecular weight of 499.01 g/mol, XLogP of 13.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen is sourced from PubChem (CID 160864488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).