tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane

C11H20OSi — CID 15739461

IUPACtert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane
SMILESC[C@@H]1O[C@@H]1C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20OSi/c1-9-10(12-9)7-8-13(5,6)11(2,3)4/h9-10H,1-6H3/t9-,10+/m0/s1
InChIKeyCWMDIYYSGCUHGL-VHSXEESVSA-N
MW196.37 g/mol
LogP2.82
Rot. Bonds

About tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane

tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane (PubChem CID 15739461) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane
PubChem CID15739461
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Nametert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane
SMILESC[C@@H]1O[C@@H]1C#C[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H20OSi/c1-9-10(12-9)7-8-13(5,6)11(2,3)4/h9-10H,1-6H3/t9-,10+/m0/s1
InChIKeyCWMDIYYSGCUHGL-VHSXEESVSA-N
XLogP2.82
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 ≤ 52.82
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'}

Analyze tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane with MolForge

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Related Compounds

Trimethyl[2-(2-methyloxiran-2-yl)ethynyl]silane
CID 155943392
Qhzcgdyeudelql-uwvggrqhsa-
CID 11321826
Trimethyl-[2-(oxiran-2-yl)ethynyl]silane
CID 45079317
(R)-tert-butyldimethyl(3-(oxiran-2-ylmethoxy)prop-1-yn-1-yl)silane
CID 91827330
(S)-tert-butyldimethyl(3-(oxiran-2-ylmethoxy)prop-1-yn-1-yl)silane
CID 91827338
(2,3-Dimethyloxiran-2-yl)-tri(propan-2-yl)silane
CID 11009726
trimethyl-[3-[(2S)-oxiran-2-yl]prop-1-ynyl]silane
CID 11116278
trimethyl-[3-[(2R)-oxiran-2-yl]prop-1-ynyl]silane
CID 11332584
trimethyl-[2-[(2R,3R)-3-propyloxiran-2-yl]ethynyl]silane
CID 15863615
Tert-butyl-dimethyl-(5-prop-2-ynoxypent-3-yn-2-yloxy)silane
CID 134850803
4-Ethoxypent-1-ynyl(trimethyl)silane
CID 135023128
Trimethyl-[4-(oxiran-2-yl)but-2-ynyl]silane
CID 10374829

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane (CID 15739461) is tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane is C[C@@H]1O[C@@H]1C#C[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane?
The InChIKey is CWMDIYYSGCUHGL-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20OSi/c1-9-10(12-9)7-8-13(5,6)11(2,3)4/h9-10H,1-6H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane?
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane has a molecular weight of 196.37 g/mol, XLogP of 2.82, 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-[(2R,3S)-3-methyloxiran-2-yl]ethynyl]silane is sourced from PubChem (CID 15739461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).