[(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium

C15H31SSi+ — CID 134893522

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium
SMILESCC(C)=CCC/C(C)=C/C[S+](C)C[Si](C)(C)C
InChIInChI=1S/C15H31SSi/c1-14(2)9-8-10-15(3)11-12-16(4)13-17(5,6)7/h9,11H,8,10,12-13H2,1-7H3/q+1/b15-11+
InChIKeyYTOHWULDWJXJMV-RVDMUPIBSA-N
MW271.57 g/mol
LogP4.80
Rot. Bonds7

About [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium

[(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium (PubChem CID 134893522) has the molecular formula C15H31SSi+ and a molecular weight of 271.57 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium
PubChem CID134893522
Molecular FormulaC15H31SSi+
Molecular Weight271.57 g/mol
Exact Mass271.19
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium
SMILESCC(C)=CCC/C(C)=C/C[S+](C)C[Si](C)(C)C
InChIInChI=1S/C15H31SSi/c1-14(2)9-8-10-15(3)11-12-16(4)13-17(5,6)7/h9,11H,8,10,12-13H2,1-7H3/q+1/b15-11+
InChIKeyYTOHWULDWJXJMV-RVDMUPIBSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.57
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium (CID 134893522) is [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium is CC(C)=CCC/C(C)=C/C[S+](C)C[Si](C)(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium?
The InChIKey is YTOHWULDWJXJMV-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H31SSi/c1-14(2)9-8-10-15(3)11-12-16(4)13-17(5,6)7/h9,11H,8,10,12-13H2,1-7H3/q+1/b15-11+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium?
[(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium has a molecular weight of 271.57 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl]-methyl-(trimethylsilylmethyl)sulfanium is sourced from PubChem (CID 134893522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).