trimethyl(3-methyldecyl)-λ4-sulfane

C14H32S — CID 123492873

IUPACtrimethyl(3-methyldecyl)-λ4-sulfane
SMILESCCCCCCCC(C)CCS(C)(C)C
InChIInChI=1S/C14H32S/c1-6-7-8-9-10-11-14(2)12-13-15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyWSFDMZCVGFRHJW-UHFFFAOYSA-N
MW232.48 g/mol
LogP5.07
Rot. Bonds9

About trimethyl(3-methyldecyl)-λ4-sulfane

trimethyl(3-methyldecyl)-λ4-sulfane (PubChem CID 123492873) has the molecular formula C14H32S and a molecular weight of 232.48 g/mol. Its IUPAC name is trimethyl(3-methyldecyl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(3-methyldecyl)-λ4-sulfane
PubChem CID123492873
Molecular FormulaC14H32S
Molecular Weight232.48 g/mol
Exact Mass232.22
IUPAC Nametrimethyl(3-methyldecyl)-λ4-sulfane
SMILESCCCCCCCC(C)CCS(C)(C)C
InChIInChI=1S/C14H32S/c1-6-7-8-9-10-11-14(2)12-13-15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyWSFDMZCVGFRHJW-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.48
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070
8-methyloctacosane
CID 22224109
13,19-dimethylhentriacontane
CID 86136051
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392

Frequently Asked Questions

What is the IUPAC name of trimethyl(3-methyldecyl)-λ4-sulfane?
The IUPAC name of trimethyl(3-methyldecyl)-λ4-sulfane (CID 123492873) is trimethyl(3-methyldecyl)-λ4-sulfane.
What is the SMILES notation for trimethyl(3-methyldecyl)-λ4-sulfane?
The canonical SMILES for trimethyl(3-methyldecyl)-λ4-sulfane is CCCCCCCC(C)CCS(C)(C)C.
What is the InChIKey of trimethyl(3-methyldecyl)-λ4-sulfane?
The InChIKey is WSFDMZCVGFRHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32S/c1-6-7-8-9-10-11-14(2)12-13-15(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of trimethyl(3-methyldecyl)-λ4-sulfane?
trimethyl(3-methyldecyl)-λ4-sulfane has a molecular weight of 232.48 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-methyldecyl)-λ4-sulfane is sourced from PubChem (CID 123492873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).