2-methyl-6-(methylsulfanylmethyl)octane

C11H24S — CID 123912596

IUPAC2-methyl-6-(methylsulfanylmethyl)octane
SMILESCCC(CCCC(C)C)CSC
InChIInChI=1S/C11H24S/c1-5-11(9-12-4)8-6-7-10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyKUHFDGWXFJCSDK-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.20
Rot. Bonds7

About 2-methyl-6-(methylsulfanylmethyl)octane

2-methyl-6-(methylsulfanylmethyl)octane (PubChem CID 123912596) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 2-methyl-6-(methylsulfanylmethyl)octane.

Molecular Properties

Compound Name2-methyl-6-(methylsulfanylmethyl)octane
PubChem CID123912596
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name2-methyl-6-(methylsulfanylmethyl)octane
SMILESCCC(CCCC(C)C)CSC
InChIInChI=1S/C11H24S/c1-5-11(9-12-4)8-6-7-10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyKUHFDGWXFJCSDK-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(methylsulfanylmethyl)octane?
The IUPAC name of 2-methyl-6-(methylsulfanylmethyl)octane (CID 123912596) is 2-methyl-6-(methylsulfanylmethyl)octane.
What is the SMILES notation for 2-methyl-6-(methylsulfanylmethyl)octane?
The canonical SMILES for 2-methyl-6-(methylsulfanylmethyl)octane is CCC(CCCC(C)C)CSC.
What is the InChIKey of 2-methyl-6-(methylsulfanylmethyl)octane?
The InChIKey is KUHFDGWXFJCSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-5-11(9-12-4)8-6-7-10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-methyl-6-(methylsulfanylmethyl)octane?
2-methyl-6-(methylsulfanylmethyl)octane has a molecular weight of 188.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(methylsulfanylmethyl)octane is sourced from PubChem (CID 123912596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).