4-methyl-8-methylsulfanylnon-1-ene

C11H22S — CID 91487034

IUPAC4-methyl-8-methylsulfanylnon-1-ene
SMILESC=CCC(C)CCCC(C)SC
InChIInChI=1S/C11H22S/c1-5-7-10(2)8-6-9-11(3)12-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyVSQHFJWPZTURTL-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.12
Rot. Bonds7

About 4-methyl-8-methylsulfanylnon-1-ene

4-methyl-8-methylsulfanylnon-1-ene (PubChem CID 91487034) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 4-methyl-8-methylsulfanylnon-1-ene.

Molecular Properties

Compound Name4-methyl-8-methylsulfanylnon-1-ene
PubChem CID91487034
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name4-methyl-8-methylsulfanylnon-1-ene
SMILESC=CCC(C)CCCC(C)SC
InChIInChI=1S/C11H22S/c1-5-7-10(2)8-6-9-11(3)12-4/h5,10-11H,1,6-9H2,2-4H3
InChIKeyVSQHFJWPZTURTL-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-methylsulfanylnon-1-ene?
The IUPAC name of 4-methyl-8-methylsulfanylnon-1-ene (CID 91487034) is 4-methyl-8-methylsulfanylnon-1-ene.
What is the SMILES notation for 4-methyl-8-methylsulfanylnon-1-ene?
The canonical SMILES for 4-methyl-8-methylsulfanylnon-1-ene is C=CCC(C)CCCC(C)SC.
What is the InChIKey of 4-methyl-8-methylsulfanylnon-1-ene?
The InChIKey is VSQHFJWPZTURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-5-7-10(2)8-6-9-11(3)12-4/h5,10-11H,1,6-9H2,2-4H3.
What are the key properties of 4-methyl-8-methylsulfanylnon-1-ene?
4-methyl-8-methylsulfanylnon-1-ene has a molecular weight of 186.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-methylsulfanylnon-1-ene is sourced from PubChem (CID 91487034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).