trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane

C17H22SSi — CID 11822267

IUPACtrimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane
SMILESC=C(C#C[Si](C)(C)C)C(Sc1ccccc1)=C(C)C
InChIInChI=1S/C17H22SSi/c1-14(2)17(15(3)12-13-19(4,5)6)18-16-10-8-7-9-11-16/h7-11H,3H2,1-2,4-6H3
InChIKeyKLDOKQOWCMPWEB-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.51
Rot. Bonds3

About trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane

trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane (PubChem CID 11822267) has the molecular formula C17H22SSi and a molecular weight of 286.52 g/mol. Its IUPAC name is trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane.

Molecular Properties

Compound Nametrimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane
PubChem CID11822267
Molecular FormulaC17H22SSi
Molecular Weight286.52 g/mol
Exact Mass286.12
IUPAC Nametrimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane
SMILESC=C(C#C[Si](C)(C)C)C(Sc1ccccc1)=C(C)C
InChIInChI=1S/C17H22SSi/c1-14(2)17(15(3)12-13-19(4,5)6)18-16-10-8-7-9-11-16/h7-11H,3H2,1-2,4-6H3
InChIKeyKLDOKQOWCMPWEB-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane?
The IUPAC name of trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane (CID 11822267) is trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane.
What is the SMILES notation for trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane?
The canonical SMILES for trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane is C=C(C#C[Si](C)(C)C)C(Sc1ccccc1)=C(C)C.
What is the InChIKey of trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane?
The InChIKey is KLDOKQOWCMPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22SSi/c1-14(2)17(15(3)12-13-19(4,5)6)18-16-10-8-7-9-11-16/h7-11H,3H2,1-2,4-6H3.
What are the key properties of trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane?
trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane has a molecular weight of 286.52 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane is sourced from PubChem (CID 11822267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).