tert-butyl-hex-4-ynoxy-dimethylsilane

C12H24OSi — CID 11241328

IUPACtert-butyl-hex-4-ynoxy-dimethylsilane
SMILESCC#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h9-11H2,1-6H3
InChIKeyQSNBGCAGDXTNBG-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.81
Rot. Bonds4

About tert-butyl-hex-4-ynoxy-dimethylsilane

tert-butyl-hex-4-ynoxy-dimethylsilane (PubChem CID 11241328) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is tert-butyl-hex-4-ynoxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hex-4-ynoxy-dimethylsilane
PubChem CID11241328
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Nametert-butyl-hex-4-ynoxy-dimethylsilane
SMILESCC#CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h9-11H2,1-6H3
InChIKeyQSNBGCAGDXTNBG-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Propargyloxy-t-butyldimethylsilane
CID 3445622
(But-3-yn-1-yloxy)(tert-butyl)dimethylsilane
CID 4304567
2-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 359271
Silane, trimethyl[3-[(trimethylsilyl)oxy]-1-propynyl]-
CID 359338
3-Methyl-N'-[(E,2E)-3-(4-nitrophenyl)-2-propenylidene]-1H-pyrazole-5-carbohydrazide
CID 529185
Butoxy(triethyl)silane
CID 525735
tert-Butyl(ethoxy)dimethylsilane
CID 526489
1-Butanol, DMTBS
CID 529138
Tert-butyldimethyl[(2-methylbut-3-yn-1-yl)oxy]silane
CID 10584128
1-Triisopropylsilyloxybutane
CID 604346
Triisopropyl-prop-2-ynyloxy-silane
CID 10932773

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hex-4-ynoxy-dimethylsilane?
The IUPAC name of tert-butyl-hex-4-ynoxy-dimethylsilane (CID 11241328) is tert-butyl-hex-4-ynoxy-dimethylsilane.
What is the SMILES notation for tert-butyl-hex-4-ynoxy-dimethylsilane?
The canonical SMILES for tert-butyl-hex-4-ynoxy-dimethylsilane is CC#CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hex-4-ynoxy-dimethylsilane?
The InChIKey is QSNBGCAGDXTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-7-8-9-10-11-13-14(5,6)12(2,3)4/h9-11H2,1-6H3.
What are the key properties of tert-butyl-hex-4-ynoxy-dimethylsilane?
tert-butyl-hex-4-ynoxy-dimethylsilane has a molecular weight of 212.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hex-4-ynoxy-dimethylsilane is sourced from PubChem (CID 11241328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).