tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane

C16H26OSSi — CID 157387297

IUPACtert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
SMILESCc1cc(C#CCCO[Si](C)(C)C(C)(C)C)sc1C
InChIInChI=1S/C16H26OSSi/c1-13-12-15(18-14(13)2)10-8-9-11-17-19(6,7)16(3,4)5/h12H,9,11H2,1-7H3
InChIKeyREVOGHLKPHIIRU-UHFFFAOYSA-N
MW294.54 g/mol
LogP5.13
Rot. Bonds3

About tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane

tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane (PubChem CID 157387297) has the molecular formula C16H26OSSi and a molecular weight of 294.54 g/mol. Its IUPAC name is tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
PubChem CID157387297
Molecular FormulaC16H26OSSi
Molecular Weight294.54 g/mol
Exact Mass294.15
IUPAC Nametert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane
SMILESCc1cc(C#CCCO[Si](C)(C)C(C)(C)C)sc1C
InChIInChI=1S/C16H26OSSi/c1-13-12-15(18-14(13)2)10-8-9-11-17-19(6,7)16(3,4)5/h12H,9,11H2,1-7H3
InChIKeyREVOGHLKPHIIRU-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(5-bromo-5,5-difluoropent-3-ynoxy)-tert-butyl-dimethylsilane
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lithium tert-butyl-but-3-ynoxy-dimethylsilane
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tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
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tert-butyl-[(2,5-dimethylthiophen-3-yl)methoxy]-dimethylsilane
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4-(1-but-3-enylpyridin-1-ium-2-yl)but-3-ynoxy-tert-butyl-dimethylsilane
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tert-butyl-[2-(4-ethynyl-2,6-dimethylphenoxy)ethoxy]-dimethylsilane
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5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane (CID 157387297) is tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane is Cc1cc(C#CCCO[Si](C)(C)C(C)(C)C)sc1C.
What is the InChIKey of tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane?
The InChIKey is REVOGHLKPHIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSSi/c1-13-12-15(18-14(13)2)10-8-9-11-17-19(6,7)16(3,4)5/h12H,9,11H2,1-7H3.
What are the key properties of tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane?
tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane has a molecular weight of 294.54 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(4,5-dimethylthiophen-2-yl)but-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 157387297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).