1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen

C16H32 — CID 158561859

IUPAC1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
SMILESCC1CCC(/C=C/C2CCC(C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C16H28.2H2/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;;/h11-16H,3-10H2,1-2H3;2*1H/b12-11+;;
InChIKeyHQZGQWHBBUFKFP-YHPRVSEPSA-N
MW224.43 g/mol
LogP5.69
Rot. Bonds2

About 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen

1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen (PubChem CID 158561859) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
PubChem CID158561859
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
SMILESCC1CCC(/C=C/C2CCC(C)CC2)CC1.[H][H].[H][H]
InChIInChI=1S/C16H28.2H2/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;;/h11-16H,3-10H2,1-2H3;2*1H/b12-11+;;
InChIKeyHQZGQWHBBUFKFP-YHPRVSEPSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-[(E)-3,3-dimethylbut-1-enyl]-4-methylcyclohexane
CID 158566713
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
(E)-3-(4-methylcyclohexyl)prop-2-enal
CID 79331612
methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
CID 54078523
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen;hydrofluoride;hydroiodide
CID 159297560
(E)-1-(4-methylcyclohexyl)-N-[(E)-(4-methylcyclohexyl)methylideneamino]methanimine
CID 20730842
[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 18720884

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen?
The IUPAC name of 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen (CID 158561859) is 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen.
What is the SMILES notation for 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen?
The canonical SMILES for 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen is CC1CCC(/C=C/C2CCC(C)CC2)CC1.[H][H].[H][H].
What is the InChIKey of 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen?
The InChIKey is HQZGQWHBBUFKFP-YHPRVSEPSA-N. The full InChI is InChI=1S/C16H28.2H2/c1-13-3-7-15(8-4-13)11-12-16-9-5-14(2)6-10-16;;/h11-16H,3-10H2,1-2H3;2*1H/b12-11+;;.
What are the key properties of 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen?
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen has a molecular weight of 224.43 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen is sourced from PubChem (CID 158561859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).