tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane

C11H20O2Si — CID 134859795

IUPACtert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C11H20O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h1,9-10H,8H2,2-6H3/t9-,10-/m0/s1
InChIKeyDTZWQQGEJJPJKG-UWVGGRQHSA-N
MW212.36 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane (PubChem CID 134859795) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane
PubChem CID134859795
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane
SMILESC#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C11H20O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h1,9-10H,8H2,2-6H3/t9-,10-/m0/s1
InChIKeyDTZWQQGEJJPJKG-UWVGGRQHSA-N
XLogP2.41
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.41
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

(S)-Glycidoxy-t-butyldimethylsilane
CID 10954307
(R)-tert-Butyldimethyl(oxiran-2-ylmethoxy)silane
CID 11008692
tert-butyl-dimethyl-[[(2R,3R)-3-methyloxiran-2-yl]methoxy]silane
CID 11600881
tert-Butyldimethylsilyl glycidyl ether
CID 3605359
(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
tert-butyl-dimethyl-[(2S)-2-[(2R)-oxiran-2-yl]-2-prop-2-ynoxyethoxy]silane
CID 10848704
tert-butyl-dimethyl-[(1R)-1-[(2S)-oxiran-2-yl]ethoxy]silane
CID 11735835
Tert-butyl-dimethyl-[(3-methyl-3-prop-1-ynyloxiran-2-yl)methoxy]silane
CID 85145117
tert-butyl-dimethyl-[[(2S,3S)-3-methyloxiran-2-yl]methoxy]silane
CID 102097810
tert-butyl-[[(2S)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134841832
tert-butyl-[[(2S,3R)-3-ethynyloxiran-2-yl]methoxy]-dimethylsilane
CID 134860685

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane (CID 134859795) is tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane is C#C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane?
The InChIKey is DTZWQQGEJJPJKG-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-7-9(10-8-12-10)13-14(5,6)11(2,3)4/h1,9-10H,8H2,2-6H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane has a molecular weight of 212.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-ynoxy]silane is sourced from PubChem (CID 134859795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).