3,4-dimethyl-2-methylsulfanyloctane

C11H24S — CID 139468538

IUPAC3,4-dimethyl-2-methylsulfanyloctane
SMILESCCCCC(C)C(C)C(C)SC
InChIInChI=1S/C11H24S/c1-6-7-8-9(2)10(3)11(4)12-5/h9-11H,6-8H2,1-5H3
InChIKeyJQTQLVORRQMCSW-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.20
Rot. Bonds6

About 3,4-dimethyl-2-methylsulfanyloctane

3,4-dimethyl-2-methylsulfanyloctane (PubChem CID 139468538) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 3,4-dimethyl-2-methylsulfanyloctane.

Molecular Properties

Compound Name3,4-dimethyl-2-methylsulfanyloctane
PubChem CID139468538
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name3,4-dimethyl-2-methylsulfanyloctane
SMILESCCCCC(C)C(C)C(C)SC
InChIInChI=1S/C11H24S/c1-6-7-8-9(2)10(3)11(4)12-5/h9-11H,6-8H2,1-5H3
InChIKeyJQTQLVORRQMCSW-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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 3,4-dimethyl-2-methylsulfanyloctane?
The IUPAC name of 3,4-dimethyl-2-methylsulfanyloctane (CID 139468538) is 3,4-dimethyl-2-methylsulfanyloctane.
What is the SMILES notation for 3,4-dimethyl-2-methylsulfanyloctane?
The canonical SMILES for 3,4-dimethyl-2-methylsulfanyloctane is CCCCC(C)C(C)C(C)SC.
What is the InChIKey of 3,4-dimethyl-2-methylsulfanyloctane?
The InChIKey is JQTQLVORRQMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-6-7-8-9(2)10(3)11(4)12-5/h9-11H,6-8H2,1-5H3.
What are the key properties of 3,4-dimethyl-2-methylsulfanyloctane?
3,4-dimethyl-2-methylsulfanyloctane has a molecular weight of 188.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-methylsulfanyloctane is sourced from PubChem (CID 139468538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).