[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane

C9H18OSi — CID 173339009

IUPAC[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane
SMILESCC(C)(C)OC(C)(C)C#C[SiH3]
InChIInChI=1S/C9H18OSi/c1-8(2,3)10-9(4,5)6-7-11/h1-5,11H3
InChIKeyQHTQRSIIAGTIED-UHFFFAOYSA-N
MW170.33 g/mol
LogP0.91
Rot. Bonds1

About [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane

[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane (PubChem CID 173339009) has the molecular formula C9H18OSi and a molecular weight of 170.33 g/mol. Its IUPAC name is [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane.

Molecular Properties

Compound Name[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane
PubChem CID173339009
Molecular FormulaC9H18OSi
Molecular Weight170.33 g/mol
Exact Mass170.11
IUPAC Name[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane
SMILESCC(C)(C)OC(C)(C)C#C[SiH3]
InChIInChI=1S/C9H18OSi/c1-8(2,3)10-9(4,5)6-7-11/h1-5,11H3
InChIKeyQHTQRSIIAGTIED-UHFFFAOYSA-N
XLogP0.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
The IUPAC name of [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane (CID 173339009) is [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane.
What is the SMILES notation for [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
The canonical SMILES for [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane is CC(C)(C)OC(C)(C)C#C[SiH3].
What is the InChIKey of [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
The InChIKey is QHTQRSIIAGTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OSi/c1-8(2,3)10-9(4,5)6-7-11/h1-5,11H3.
What are the key properties of [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane?
[3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane has a molecular weight of 170.33 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-[(2-methylpropan-2-yl)oxy]but-1-ynyl]silane is sourced from PubChem (CID 173339009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).