tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide

C34H74FI — CID 160985954

IUPACtetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.F.I
InChIInChI=1S/4C8H16.2CH4.FH.HI/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;2*1H4;2*1H
InChIKeyWPMVHVBSNZLJKM-UHFFFAOYSA-N
MW628.87 g/mol
LogP13.37
Rot. Bonds

About tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide

tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide (PubChem CID 160985954) has the molecular formula C34H74FI and a molecular weight of 628.87 g/mol. Its IUPAC name is tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide.

Molecular Properties

Compound Nametetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
PubChem CID160985954
Molecular FormulaC34H74FI
Molecular Weight628.87 g/mol
Exact Mass628.48
IUPAC Nametetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
SMILESC.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.F.I
InChIInChI=1S/4C8H16.2CH4.FH.HI/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;2*1H4;2*1H
InChIKeyWPMVHVBSNZLJKM-UHFFFAOYSA-N
XLogP13.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.87
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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;molecular hydrogen
CID 160864488
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
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 tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide?
The IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide (CID 160985954) is tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide.
What is the SMILES notation for tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide?
The canonical SMILES for tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide is C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.F.I.
What is the InChIKey of tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide?
The InChIKey is WPMVHVBSNZLJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16.2CH4.FH.HI/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;2*1H4;2*1H.
What are the key properties of tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide?
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide has a molecular weight of 628.87 g/mol, XLogP of 13.37, 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;hydrofluoride;hydroiodide is sourced from PubChem (CID 160985954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).