6-methyl-2-methylsulfanylnon-1-ene

C11H22S — CID 90723733

IUPAC6-methyl-2-methylsulfanylnon-1-ene
SMILESC=C(CCCC(C)CCC)SC
InChIInChI=1S/C11H22S/c1-5-7-10(2)8-6-9-11(3)12-4/h10H,3,5-9H2,1-2,4H3
InChIKeyIOSLDBPGPJQJNE-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.47
Rot. Bonds7

About 6-methyl-2-methylsulfanylnon-1-ene

6-methyl-2-methylsulfanylnon-1-ene (PubChem CID 90723733) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanylnon-1-ene.

Molecular Properties

Compound Name6-methyl-2-methylsulfanylnon-1-ene
PubChem CID90723733
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name6-methyl-2-methylsulfanylnon-1-ene
SMILESC=C(CCCC(C)CCC)SC
InChIInChI=1S/C11H22S/c1-5-7-10(2)8-6-9-11(3)12-4/h10H,3,5-9H2,1-2,4H3
InChIKeyIOSLDBPGPJQJNE-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanylnon-1-ene?
The IUPAC name of 6-methyl-2-methylsulfanylnon-1-ene (CID 90723733) is 6-methyl-2-methylsulfanylnon-1-ene.
What is the SMILES notation for 6-methyl-2-methylsulfanylnon-1-ene?
The canonical SMILES for 6-methyl-2-methylsulfanylnon-1-ene is C=C(CCCC(C)CCC)SC.
What is the InChIKey of 6-methyl-2-methylsulfanylnon-1-ene?
The InChIKey is IOSLDBPGPJQJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-5-7-10(2)8-6-9-11(3)12-4/h10H,3,5-9H2,1-2,4H3.
What are the key properties of 6-methyl-2-methylsulfanylnon-1-ene?
6-methyl-2-methylsulfanylnon-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanylnon-1-ene is sourced from PubChem (CID 90723733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).