tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane

C20H36S2Si2 — CID 10810782

IUPACtert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane
SMILESCS/C(C#C[Si](C)(C)C(C)(C)C)=C(\C#C[Si](C)(C)C(C)(C)C)SC
InChIInChI=1S/C20H36S2Si2/c1-19(2,3)23(9,10)15-13-17(21-7)18(22-8)14-16-24(11,12)20(4,5)6/h1-12H3/b18-17+
InChIKeyGABXUDBEEBFOKA-ISLYRVAYSA-N
MW396.81 g/mol
LogP7.03
Rot. Bonds2

About tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane

tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane (PubChem CID 10810782) has the molecular formula C20H36S2Si2 and a molecular weight of 396.81 g/mol. Its IUPAC name is tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane
PubChem CID10810782
Molecular FormulaC20H36S2Si2
Molecular Weight396.81 g/mol
Exact Mass396.18
IUPAC Nametert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane
SMILESCS/C(C#C[Si](C)(C)C(C)(C)C)=C(\C#C[Si](C)(C)C(C)(C)C)SC
InChIInChI=1S/C20H36S2Si2/c1-19(2,3)23(9,10)15-13-17(21-7)18(22-8)14-16-24(11,12)20(4,5)6/h1-12H3/b18-17+
InChIKeyGABXUDBEEBFOKA-ISLYRVAYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.81
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride
CID 102409126
[3,4-bis[2-[tert-butyl(dimethyl)silyl]ethynyl]-6-tri(propan-2-yl)silylhex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
CID 4712639
tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
CID 86138061
tert-butyl-[12-[tert-butyl(dimethyl)silyl]dodeca-1,3,5,7,9,11-hexaynyl]-dimethylsilane
CID 134977086
tert-butyl-dimethyl-(2-phenylethynyl)silane
CID 11127691
(2Z)-2-benzylidene-4-[tert-butyl(dimethyl)silyl]-1,1-diphenylbut-3-yn-1-ol
CID 16756347
tert-butyl-dimethyl-[2-(4-methylphenyl)ethynyl]silane
CID 15258945
5-[tert-butyl(dimethyl)silyl]penta-2,4-diynenitrile
CID 101474836
tert-butyl-[2-(4-ethynylphenyl)ethynyl]-dimethylsilane
CID 11447833
tert-butyl-[(E)-3,4-diphenylbut-3-en-1-ynyl]-dimethylsilane
CID 102080744
5-[tert-butyl(dimethyl)silyl]pent-4-yn-2-ol
CID 552364
tert-butyl-[(Z)-3-(methoxymethyl)-4-phenylbut-3-en-1-ynyl]-dimethylsilane
CID 102296200

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane (CID 10810782) is tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane is CS/C(C#C[Si](C)(C)C(C)(C)C)=C(\C#C[Si](C)(C)C(C)(C)C)SC.
What is the InChIKey of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane?
The InChIKey is GABXUDBEEBFOKA-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H36S2Si2/c1-19(2,3)23(9,10)15-13-17(21-7)18(22-8)14-16-24(11,12)20(4,5)6/h1-12H3/b18-17+.
What are the key properties of tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane?
tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane has a molecular weight of 396.81 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]-3,4-bis(methylsulfanyl)hex-3-en-1,5-diynyl]-dimethylsilane is sourced from PubChem (CID 10810782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).