[(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane

C13H26SSi — CID 12640881

IUPAC[(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane
SMILESCC(C)=CC/C(C)=C/CSC[Si](C)(C)C
InChIInChI=1S/C13H26SSi/c1-12(2)7-8-13(3)9-10-14-11-15(4,5)6/h7,9H,8,10-11H2,1-6H3/b13-9+
InChIKeyZUOPDXWXYDLVMT-UKTHLTGXSA-N
MW242.50 g/mol
LogP4.90
Rot. Bonds6

About [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane

[(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane (PubChem CID 12640881) has the molecular formula C13H26SSi and a molecular weight of 242.50 g/mol. Its IUPAC name is [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane.

Molecular Properties

Compound Name[(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane
PubChem CID12640881
Molecular FormulaC13H26SSi
Molecular Weight242.50 g/mol
Exact Mass242.15
IUPAC Name[(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane
SMILESCC(C)=CC/C(C)=C/CSC[Si](C)(C)C
InChIInChI=1S/C13H26SSi/c1-12(2)7-8-13(3)9-10-14-11-15(4,5)6/h7,9H,8,10-11H2,1-6H3/b13-9+
InChIKeyZUOPDXWXYDLVMT-UKTHLTGXSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane?
The IUPAC name of [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane (CID 12640881) is [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane.
What is the SMILES notation for [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane?
The canonical SMILES for [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane is CC(C)=CC/C(C)=C/CSC[Si](C)(C)C.
What is the InChIKey of [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane?
The InChIKey is ZUOPDXWXYDLVMT-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H26SSi/c1-12(2)7-8-13(3)9-10-14-11-15(4,5)6/h7,9H,8,10-11H2,1-6H3/b13-9+.
What are the key properties of [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane?
[(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane has a molecular weight of 242.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,6-dimethylhepta-2,5-dienyl]sulfanylmethyl-trimethylsilane is sourced from PubChem (CID 12640881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).