tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane

C11H20OSi — CID 11252577

IUPACtert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane
SMILESCC1(C#C[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C11H20OSi/c1-10(2,3)13(5,6)8-7-11(4)9-12-11/h9H2,1-6H3
InChIKeyRUSBGARASHJHPD-UHFFFAOYSA-N
MW196.37 g/mol
LogP2.83
Rot. Bonds

About tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane

tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane (PubChem CID 11252577) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane
PubChem CID11252577
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Nametert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane
SMILESCC1(C#C[Si](C)(C)C(C)(C)C)CO1
InChIInChI=1S/C11H20OSi/c1-10(2,3)13(5,6)8-7-11(4)9-12-11/h9H2,1-6H3
InChIKeyRUSBGARASHJHPD-UHFFFAOYSA-N
XLogP2.83
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
(3-Methoxy-3-methylbut-1-ynyl)-trimethylsilane
CID 14023696
Tert-butyl-dimethyl-[3-[2-[2-tri(propan-2-yl)silylethynyl]oxiran-2-yl]prop-2-ynoxy]silane
CID 12027346
(6-Methoxy-3,3,6-trimethylhepta-1,4-diyn-1-yl)(trimethyl)silane
CID 13205392
(3,3-Dimethyloxiran-2-yl)-tri(propan-2-yl)silane
CID 85736923
(3,3-Dimethyloxiranyl)trimethylsilane
CID 317714
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane
CID 15739461
Trimethyl-[4-(oxiran-2-yl)but-2-ynyl]silane
CID 10374829
tert-butyl-dimethyl-[2-[(2R)-oxiran-2-yl]ethynyl]silane
CID 10899305
tert-butyl-dimethyl-[2-[(2S)-oxiran-2-yl]ethynyl]silane
CID 11298336
Trimethyl-[3-[(2-methylpropan-2-yl)oxy]prop-1-ynyl]silane
CID 11819737

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane (CID 11252577) is tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane is CC1(C#C[Si](C)(C)C(C)(C)C)CO1.
What is the InChIKey of tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane?
The InChIKey is RUSBGARASHJHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OSi/c1-10(2,3)13(5,6)8-7-11(4)9-12-11/h9H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane?
tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane has a molecular weight of 196.37 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(2-methyloxiran-2-yl)ethynyl]silane is sourced from PubChem (CID 11252577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).