1,4-dimethylcyclohexane;ethane;sulfane

C10H24S — CID 142040311

IUPAC1,4-dimethylcyclohexane;ethane;sulfane
SMILESCC.CC1CCC(C)CC1.S
InChIInChI=1S/C8H16.C2H6.H2S/c1-7-3-5-8(2)6-4-7;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;1H2
InChIKeyYTEOXSSDUCPWFT-UHFFFAOYSA-N
MW176.37 g/mol
LogP3.97
Rot. Bonds

About 1,4-dimethylcyclohexane;ethane;sulfane

1,4-dimethylcyclohexane;ethane;sulfane (PubChem CID 142040311) has the molecular formula C10H24S and a molecular weight of 176.37 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;ethane;sulfane.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;ethane;sulfane
PubChem CID142040311
Molecular FormulaC10H24S
Molecular Weight176.37 g/mol
Exact Mass176.16
IUPAC Name1,4-dimethylcyclohexane;ethane;sulfane
SMILESCC.CC1CCC(C)CC1.S
InChIInChI=1S/C8H16.C2H6.H2S/c1-7-3-5-8(2)6-4-7;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;1H2
InChIKeyYTEOXSSDUCPWFT-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methylcyclopropane
CID 158329065
bis(1,4-dimethylcyclohexane);methane
CID 161326462
ethane;methane;methylcyclopropane
CID 159551011
1,4-dimethylcyclohexane;methanol
CID 70358527
cyclobutane;ethane;methylcyclopropane
CID 143875535
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
ethane;methylcyclohexane;sulfane
CID 145330244
1,4-dimethylcyclohexane;ethane;methane;propane
CID 143683179
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
ethane;4-methylcyclohexan-1-amine
CID 142937577
1-bromo-4-methylcyclohexane;ethane
CID 91482050

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;ethane;sulfane?
The IUPAC name of 1,4-dimethylcyclohexane;ethane;sulfane (CID 142040311) is 1,4-dimethylcyclohexane;ethane;sulfane.
What is the SMILES notation for 1,4-dimethylcyclohexane;ethane;sulfane?
The canonical SMILES for 1,4-dimethylcyclohexane;ethane;sulfane is CC.CC1CCC(C)CC1.S.
What is the InChIKey of 1,4-dimethylcyclohexane;ethane;sulfane?
The InChIKey is YTEOXSSDUCPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C2H6.H2S/c1-7-3-5-8(2)6-4-7;1-2;/h7-8H,3-6H2,1-2H3;1-2H3;1H2.
What are the key properties of 1,4-dimethylcyclohexane;ethane;sulfane?
1,4-dimethylcyclohexane;ethane;sulfane has a molecular weight of 176.37 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;ethane;sulfane is sourced from PubChem (CID 142040311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).