trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane

C13H26O2Si2 — CID 10849689

IUPACtrimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane
SMILESCC1(C#CC(C)(O[Si](C)(C)C)[Si](C)(C)C)CO1
InChIInChI=1S/C13H26O2Si2/c1-12(11-14-12)9-10-13(2,16(3,4)5)15-17(6,7)8/h11H2,1-8H3
InChIKeyWZYCAVYAVTWURR-UHFFFAOYSA-N
MW270.52 g/mol
LogP3.27
Rot. Bonds3

About trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane

trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane (PubChem CID 10849689) has the molecular formula C13H26O2Si2 and a molecular weight of 270.52 g/mol. Its IUPAC name is trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane
PubChem CID10849689
Molecular FormulaC13H26O2Si2
Molecular Weight270.52 g/mol
Exact Mass270.15
IUPAC Nametrimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane
SMILESCC1(C#CC(C)(O[Si](C)(C)C)[Si](C)(C)C)CO1
InChIInChI=1S/C13H26O2Si2/c1-12(11-14-12)9-10-13(2,16(3,4)5)15-17(6,7)8/h11H2,1-8H3
InChIKeyWZYCAVYAVTWURR-UHFFFAOYSA-N
XLogP3.27
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.52
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl[2-(2-methyloxiran-2-yl)ethynyl]silane
CID 155943392
Qhzcgdyeudelql-uwvggrqhsa-
CID 11321826
Tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
CID 12027346
(5-Methoxy-2-methylpent-3-yn-2-yl)oxy-trimethylsilane
CID 12549317
(4-Methoxy-4-methylpent-2-ynoxy)-trimethylsilane
CID 12711300
tert-butyl-dimethyl-[2-[(2R)-oxiran-2-yl]ethynyl]silane
CID 10899305
tert-butyl-dimethyl-[2-[(2S)-oxiran-2-yl]ethynyl]silane
CID 11298336
Tert-butyl-(4-ethoxybut-3-yn-2-yloxy)-dimethylsilane
CID 13461138
Tert-butyl-(4-methoxy-4-methylpent-2-ynoxy)-dimethylsilane
CID 121605973
Butyl-(4-methoxy-4-methylpent-2-ynoxy)-dimethylsilane
CID 173563594
Tert-butyl-dimethyl-[2-(oxiran-2-yl)ethynyl]silane
CID 9855657
Tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane
CID 11252577

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane?
The IUPAC name of trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane (CID 10849689) is trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane?
The canonical SMILES for trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane is CC1(C#CC(C)(O[Si](C)(C)C)[Si](C)(C)C)CO1.
What is the InChIKey of trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane?
The InChIKey is WZYCAVYAVTWURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si2/c1-12(11-14-12)9-10-13(2,16(3,4)5)15-17(6,7)8/h11H2,1-8H3.
What are the key properties of trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane?
trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane has a molecular weight of 270.52 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(2-methyloxiran-2-yl)-2-trimethylsilylbut-3-yn-2-yl]oxysilane is sourced from PubChem (CID 10849689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).