methylsulfanylmethylcyclohexane;propane

C11H24S — CID 90890228

IUPACmethylsulfanylmethylcyclohexane;propane
SMILESCCC.CSCC1CCCCC1
InChIInChI=1S/C8H16S.C3H8/c1-9-7-8-5-3-2-4-6-8;1-3-2/h8H,2-7H2,1H3;3H2,1-2H3
InChIKeyUNVHKNUZBNMMDK-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.35
Rot. Bonds2

About methylsulfanylmethylcyclohexane;propane

methylsulfanylmethylcyclohexane;propane (PubChem CID 90890228) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is methylsulfanylmethylcyclohexane;propane.

Molecular Properties

Compound Namemethylsulfanylmethylcyclohexane;propane
PubChem CID90890228
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Namemethylsulfanylmethylcyclohexane;propane
SMILESCCC.CSCC1CCCCC1
InChIInChI=1S/C8H16S.C3H8/c1-9-7-8-5-3-2-4-6-8;1-3-2/h8H,2-7H2,1H3;3H2,1-2H3
InChIKeyUNVHKNUZBNMMDK-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylsulfanylethylcyclohexane
CID 14024904
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
1-methyl-3-(methylsulfanylmethyl)piperidine
CID 58701366
acetic acid;methylsulfanylmethylcyclopropane
CID 161126326
(3S)-3-(methylsulfanylmethyl)piperidine;hydrochloride
CID 169179223
cyclopropane;ethylcyclobutane;propane
CID 142456817
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
1,4-bis(cyclohexylmethyl)cyclohexane;propane;hydrofluoride;hydroiodide
CID 169430609
cyclohexylmethylsulfanyloxysulfanylmethylcyclohexane
CID 174718309
propylcyclotetradecane
CID 90991550
ethylcyclooctane;fluoromethane
CID 174962953
[4-methylsulfanyl-3-(methylsulfanylmethyl)butyl]cyclohexane
CID 23432666

Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethylcyclohexane;propane?
The IUPAC name of methylsulfanylmethylcyclohexane;propane (CID 90890228) is methylsulfanylmethylcyclohexane;propane.
What is the SMILES notation for methylsulfanylmethylcyclohexane;propane?
The canonical SMILES for methylsulfanylmethylcyclohexane;propane is CCC.CSCC1CCCCC1.
What is the InChIKey of methylsulfanylmethylcyclohexane;propane?
The InChIKey is UNVHKNUZBNMMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S.C3H8/c1-9-7-8-5-3-2-4-6-8;1-3-2/h8H,2-7H2,1H3;3H2,1-2H3.
What are the key properties of methylsulfanylmethylcyclohexane;propane?
methylsulfanylmethylcyclohexane;propane has a molecular weight of 188.38 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethylcyclohexane;propane is sourced from PubChem (CID 90890228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).