1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane

C16H28S — CID 134454006

IUPAC1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
SMILESCSC=CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28S/c1-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17-2/h11-16H,3-10H2,1-2H3
InChIKeyVTSKFYULHHFCNJ-UHFFFAOYSA-N
MW252.47 g/mol
LogP5.50
Rot. Bonds3

About 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane

1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane (PubChem CID 134454006) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
PubChem CID134454006
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane
SMILESCSC=CC1CCC(C2CCC(C)CC2)CC1
InChIInChI=1S/C16H28S/c1-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17-2/h11-16H,3-10H2,1-2H3
InChIKeyVTSKFYULHHFCNJ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 159017755
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carbaldehyde
CID 154525010
N-[4-[(E)-2-[4-(4-methylcyclohexyl)cyclohexyl]ethenyl]cyclohexyl]methanimine
CID 59916878
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1-[4-[(1E,5E)-hepta-1,5-dienyl]cyclohexyl]-4-(4-methylcyclohexyl)cyclohexane
CID 59927398
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503123
2-(4-methylcyclohexyl)-5-[(E)-2-(4-methylcyclohexyl)ethenyl]-1,3-dioxane
CID 54078523
2-methyl-4-(4-methylcyclohexyl)-1-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 59775475
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
(E)-3-(4-methylcyclohexyl)prop-2-enal
CID 79331612
1-[(E)-3,3-dimethylbut-1-enyl]-4-methylcyclohexane
CID 158566713

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane (CID 134454006) is 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane is CSC=CC1CCC(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane?
The InChIKey is VTSKFYULHHFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28S/c1-13-3-7-15(8-4-13)16-9-5-14(6-10-16)11-12-17-2/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane?
1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane has a molecular weight of 252.47 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-methylsulfanylethenyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 134454006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).