benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium

C16H27SSi+ — CID 10741202

IUPACbenzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium
SMILESCC(C)=CC[S+](Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C16H27SSi/c1-15(2)11-12-17(14-18(3,4)5)13-16-9-7-6-8-10-16/h6-11H,12-14H2,1-5H3/q+1
InChIKeyVRAIVIXTGBTUOH-UHFFFAOYSA-N
MW279.55 g/mol
LogP4.65
Rot. Bonds6

About benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium

benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium (PubChem CID 10741202) has the molecular formula C16H27SSi+ and a molecular weight of 279.55 g/mol. Its IUPAC name is benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium.

Molecular Properties

Compound Namebenzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium
PubChem CID10741202
Molecular FormulaC16H27SSi+
Molecular Weight279.55 g/mol
Exact Mass279.16
IUPAC Namebenzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium
SMILESCC(C)=CC[S+](Cc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C16H27SSi/c1-15(2)11-12-17(14-18(3,4)5)13-16-9-7-6-8-10-16/h6-11H,12-14H2,1-5H3/q+1
InChIKeyVRAIVIXTGBTUOH-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.55
LogP ≤ 54.65
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 benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium?
The IUPAC name of benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium (CID 10741202) is benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium.
What is the SMILES notation for benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium?
The canonical SMILES for benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium is CC(C)=CC[S+](Cc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium?
The InChIKey is VRAIVIXTGBTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27SSi/c1-15(2)11-12-17(14-18(3,4)5)13-16-9-7-6-8-10-16/h6-11H,12-14H2,1-5H3/q+1.
What are the key properties of benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium?
benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium has a molecular weight of 279.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-(3-methylbut-2-enyl)-(trimethylsilylmethyl)sulfanium is sourced from PubChem (CID 10741202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).