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

C33H72FI — CID 159297560

IUPACtetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
SMILESC.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.F.I.[H][H]
InChIInChI=1S/4C8H16.CH4.FH.HI.H2/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;1H4;3*1H
InChIKeyAXIVBHOOGBFQAU-UHFFFAOYSA-N
MW614.84 g/mol
LogP12.98
Rot. Bonds

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

tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide (PubChem CID 159297560) has the molecular formula C33H72FI and a molecular weight of 614.84 g/mol. Its IUPAC name is tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide.

Molecular Properties

Compound Nametetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
PubChem CID159297560
Molecular FormulaC33H72FI
Molecular Weight614.84 g/mol
Exact Mass614.47
IUPAC Nametetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
SMILESC.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.F.I.[H][H]
InChIInChI=1S/4C8H16.CH4.FH.HI.H2/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;1H4;3*1H
InChIKeyAXIVBHOOGBFQAU-UHFFFAOYSA-N
XLogP12.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.84
LogP ≤ 512.98
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
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
bis(1,4-dimethylcyclohexane);methane
CID 161326462
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
ethane;methane;4-methyloxane;molecular hydrogen
CID 143791951
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

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide?
The IUPAC name of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide (CID 159297560) is tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide.
What is the SMILES notation for tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide?
The canonical SMILES for tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide is C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.F.I.[H][H].
What is the InChIKey of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide?
The InChIKey is AXIVBHOOGBFQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H16.CH4.FH.HI.H2/c4*1-7-3-5-8(2)6-4-7;;;;/h4*7-8H,3-6H2,1-2H3;1H4;3*1H.
What are the key properties of tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide?
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide has a molecular weight of 614.84 g/mol, XLogP of 12.98, 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;hydrofluoride;hydroiodide is sourced from PubChem (CID 159297560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).