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

C14H29SSi+ — CID 134872282

IUPACmethyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium
SMILESCC(C)=CCC/C=C/C[S+](C)C[Si](C)(C)C
InChIInChI=1S/C14H29SSi/c1-14(2)11-9-7-8-10-12-15(3)13-16(4,5)6/h8,10-11H,7,9,12-13H2,1-6H3/q+1/b10-8+
InChIKeyPSTGFSIVOALZON-CSKARUKUSA-N
MW257.54 g/mol
LogP4.41
Rot. Bonds7

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

methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium (PubChem CID 134872282) has the molecular formula C14H29SSi+ and a molecular weight of 257.54 g/mol. Its IUPAC name is methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium.

Molecular Properties

Compound Namemethyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium
PubChem CID134872282
Molecular FormulaC14H29SSi+
Molecular Weight257.54 g/mol
Exact Mass257.18
IUPAC Namemethyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium
SMILESCC(C)=CCC/C=C/C[S+](C)C[Si](C)(C)C
InChIInChI=1S/C14H29SSi/c1-14(2)11-9-7-8-10-12-15(3)13-16(4,5)6/h8,10-11H,7,9,12-13H2,1-6H3/q+1/b10-8+
InChIKeyPSTGFSIVOALZON-CSKARUKUSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium?
The IUPAC name of methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium (CID 134872282) is methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium.
What is the SMILES notation for methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium?
The canonical SMILES for methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium is CC(C)=CCC/C=C/C[S+](C)C[Si](C)(C)C.
What is the InChIKey of methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium?
The InChIKey is PSTGFSIVOALZON-CSKARUKUSA-N. The full InChI is InChI=1S/C14H29SSi/c1-14(2)11-9-7-8-10-12-15(3)13-16(4,5)6/h8,10-11H,7,9,12-13H2,1-6H3/q+1/b10-8+.
What are the key properties of methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium?
methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium has a molecular weight of 257.54 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(2E)-7-methylocta-2,6-dienyl]-(trimethylsilylmethyl)sulfanium is sourced from PubChem (CID 134872282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).