trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane

C14H20SSi — CID 71323231

IUPACtrimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane
SMILESCC(C)=C=C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H20SSi/c1-12(2)11-14(16(3,4)5)15-13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyIGFLDWCSJFRZHR-UHFFFAOYSA-N
MW248.47 g/mol
LogP5.11
Rot. Bonds3

About trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane

trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane (PubChem CID 71323231) has the molecular formula C14H20SSi and a molecular weight of 248.47 g/mol. Its IUPAC name is trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane.

Molecular Properties

Compound Nametrimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane
PubChem CID71323231
Molecular FormulaC14H20SSi
Molecular Weight248.47 g/mol
Exact Mass248.11
IUPAC Nametrimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane
SMILESCC(C)=C=C(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C14H20SSi/c1-12(2)11-14(16(3,4)5)15-13-9-7-6-8-10-13/h6-10H,1-5H3
InChIKeyIGFLDWCSJFRZHR-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(1-phenylsulfanylpropa-1,2-dienyl)silane
CID 10900155
(1-dimethoxyphosphoryl-3-methylbuta-1,2-dienyl)sulfanylbenzene
CID 15475138
4-methylpenta-2,3-dien-2-ylbenzene
CID 10725633
1,3,3-triiodopropa-1,2-dienylsulfanylbenzene
CID 86183087
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
1,1-difluoroprop-1-en-2-ylsulfanylbenzene
CID 11194757
trimethyl-(5-methyl-3-methylidene-4-phenylsulfanylhex-4-en-1-ynyl)silane
CID 11822267
2-[methylsulfanyl(phenylsulfanyl)methylidene]propanedinitrile
CID 10977339
(E)-3-phenylsulfanylbut-2-enenitrile
CID 12582531
dimethyl-phenyl-[(Z)-3-phenylsulfanylbut-2-enyl]silane
CID 102120921
penta-1,3-dien-3-ylsulfanylbenzene
CID 74034307
hydrogen peroxide;methylsulfanylbenzene
CID 87661079

Frequently Asked Questions

What is the IUPAC name of trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane?
The IUPAC name of trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane (CID 71323231) is trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane.
What is the SMILES notation for trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane?
The canonical SMILES for trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane is CC(C)=C=C(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane?
The InChIKey is IGFLDWCSJFRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20SSi/c1-12(2)11-14(16(3,4)5)15-13-9-7-6-8-10-13/h6-10H,1-5H3.
What are the key properties of trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane?
trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane has a molecular weight of 248.47 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-methyl-1-phenylsulfanylbuta-1,2-dienyl)silane is sourced from PubChem (CID 71323231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).