4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane

C14H30S3 — CID 11748439

IUPAC4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane
SMILESCSC(CCC(C)CCCC(C)C)(SC)SC
InChIInChI=1S/C14H30S3/c1-12(2)8-7-9-13(3)10-11-14(15-4,16-5)17-6/h12-13H,7-11H2,1-6H3
InChIKeyDTNXXWXFIUVTIS-UHFFFAOYSA-N
MW294.59 g/mol
LogP5.97
Rot. Bonds10

About 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane

4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane (PubChem CID 11748439) has the molecular formula C14H30S3 and a molecular weight of 294.59 g/mol. Its IUPAC name is 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane.

Molecular Properties

Compound Name4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane
PubChem CID11748439
Molecular FormulaC14H30S3
Molecular Weight294.59 g/mol
Exact Mass294.15
IUPAC Name4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane
SMILESCSC(CCC(C)CCCC(C)C)(SC)SC
InChIInChI=1S/C14H30S3/c1-12(2)8-7-9-13(3)10-11-14(15-4,16-5)17-6/h12-13H,7-11H2,1-6H3
InChIKeyDTNXXWXFIUVTIS-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.59
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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(2S)-6,10,14,18-tetramethyl-3-(3,7,11,15-tetramethylhexadecyl)nonadecane-1,2,3-triol
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2,6-dimethylundecane
CID 28453
2,6,10,14,19,23-hexamethylhexacosane
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(3R)-3,7-dimethyloctan-1-amine
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2,6,10,15,19-pentamethylhenicosane
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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane?
The IUPAC name of 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane (CID 11748439) is 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane.
What is the SMILES notation for 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane?
The canonical SMILES for 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane is CSC(CCC(C)CCCC(C)C)(SC)SC.
What is the InChIKey of 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane?
The InChIKey is DTNXXWXFIUVTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30S3/c1-12(2)8-7-9-13(3)10-11-14(15-4,16-5)17-6/h12-13H,7-11H2,1-6H3.
What are the key properties of 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane?
4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane has a molecular weight of 294.59 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1,1,1-tris(methylsulfanyl)nonane is sourced from PubChem (CID 11748439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).