bis(1,4-dimethylcyclohexane);methane

C20H48 — CID 161326462

IUPACbis(1,4-dimethylcyclohexane);methane
SMILESC.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1
InChIInChI=1S/2C8H16.4CH4/c2*1-7-3-5-8(2)6-4-7;;;;/h2*7-8H,3-6H2,1-2H3;4*1H4
InChIKeyVKVKOZMAOLBBBA-UHFFFAOYSA-N
MW288.60 g/mol
LogP8.21
Rot. Bonds

About bis(1,4-dimethylcyclohexane);methane

bis(1,4-dimethylcyclohexane);methane (PubChem CID 161326462) has the molecular formula C20H48 and a molecular weight of 288.60 g/mol. Its IUPAC name is bis(1,4-dimethylcyclohexane);methane.

Molecular Properties

Compound Namebis(1,4-dimethylcyclohexane);methane
PubChem CID161326462
Molecular FormulaC20H48
Molecular Weight288.60 g/mol
Exact Mass288.38
IUPAC Namebis(1,4-dimethylcyclohexane);methane
SMILESC.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1
InChIInChI=1S/2C8H16.4CH4/c2*1-7-3-5-8(2)6-4-7;;;;/h2*7-8H,3-6H2,1-2H3;4*1H4
InChIKeyVKVKOZMAOLBBBA-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.60
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
ethane;methane;methylcyclopropane
CID 159551011
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1,4-dimethylcyclohexane;methanol
CID 70358527
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
1,2,3,4,7-pentamethylcyclononane
CID 123773414
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
CID 159297560
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
ethane;methylcyclopropane
CID 158329065
2,2-dimethylpropane;methane;methylcyclopropane
CID 161488522

Frequently Asked Questions

What is the IUPAC name of bis(1,4-dimethylcyclohexane);methane?
The IUPAC name of bis(1,4-dimethylcyclohexane);methane (CID 161326462) is bis(1,4-dimethylcyclohexane);methane.
What is the SMILES notation for bis(1,4-dimethylcyclohexane);methane?
The canonical SMILES for bis(1,4-dimethylcyclohexane);methane is C.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.
What is the InChIKey of bis(1,4-dimethylcyclohexane);methane?
The InChIKey is VKVKOZMAOLBBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16.4CH4/c2*1-7-3-5-8(2)6-4-7;;;;/h2*7-8H,3-6H2,1-2H3;4*1H4.
What are the key properties of bis(1,4-dimethylcyclohexane);methane?
bis(1,4-dimethylcyclohexane);methane has a molecular weight of 288.60 g/mol, XLogP of 8.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-dimethylcyclohexane);methane is sourced from PubChem (CID 161326462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).