4-methyl-3-methylsulfanylnonane

C11H24S — CID 166991934

IUPAC4-methyl-3-methylsulfanylnonane
SMILESCCCCCC(C)C(CC)SC
InChIInChI=1S/C11H24S/c1-5-7-8-9-10(3)11(6-2)12-4/h10-11H,5-9H2,1-4H3
InChIKeyGVSAYLWRJOJTPS-UHFFFAOYSA-N
MW188.38 g/mol
LogP4.34
Rot. Bonds7

About 4-methyl-3-methylsulfanylnonane

4-methyl-3-methylsulfanylnonane (PubChem CID 166991934) has the molecular formula C11H24S and a molecular weight of 188.38 g/mol. Its IUPAC name is 4-methyl-3-methylsulfanylnonane.

Molecular Properties

Compound Name4-methyl-3-methylsulfanylnonane
PubChem CID166991934
Molecular FormulaC11H24S
Molecular Weight188.38 g/mol
Exact Mass188.16
IUPAC Name4-methyl-3-methylsulfanylnonane
SMILESCCCCCC(C)C(CC)SC
InChIInChI=1S/C11H24S/c1-5-7-8-9-10(3)11(6-2)12-4/h10-11H,5-9H2,1-4H3
InChIKeyGVSAYLWRJOJTPS-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11,12-dimethyltricosane
CID 173430605
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
3,4-dimethyldecane;ethane
CID 170980289
2-methylsulfanyl-3-(undecan-6-ylamino)butan-1-ol
CID 106159193
2,3-dimethylnonacosane
CID 71331945
4,5-dimethylnonadecane
CID 123321090
8-ethyl-7-methylhexadecane
CID 56974440
3,4,5-trimethyltridecane
CID 21201053
5,6,14,15-tetramethylnonadecane
CID 123473711

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfanylnonane?
The IUPAC name of 4-methyl-3-methylsulfanylnonane (CID 166991934) is 4-methyl-3-methylsulfanylnonane.
What is the SMILES notation for 4-methyl-3-methylsulfanylnonane?
The canonical SMILES for 4-methyl-3-methylsulfanylnonane is CCCCCC(C)C(CC)SC.
What is the InChIKey of 4-methyl-3-methylsulfanylnonane?
The InChIKey is GVSAYLWRJOJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24S/c1-5-7-8-9-10(3)11(6-2)12-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-methyl-3-methylsulfanylnonane?
4-methyl-3-methylsulfanylnonane has a molecular weight of 188.38 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfanylnonane is sourced from PubChem (CID 166991934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).