tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane

C11H24O2Si — CID 11658583

IUPACtert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane
SMILESC[C@@H](C[C@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(7-10-8-12-10)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyNQELNMSJKNXHHL-UWVGGRQHSA-N
MW216.40 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane (PubChem CID 11658583) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane
PubChem CID11658583
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane
SMILESC[C@@H](C[C@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H24O2Si/c1-9(7-10-8-12-10)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m0/s1
InChIKeyNQELNMSJKNXHHL-UWVGGRQHSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 53.19
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane (CID 11658583) is tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane is C[C@@H](C[C@H]1CO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane?
The InChIKey is NQELNMSJKNXHHL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-9(7-10-8-12-10)13-14(5,6)11(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane has a molecular weight of 216.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]propan-2-yl]oxysilane is sourced from PubChem (CID 11658583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).