tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane

C12H24O2Si — CID 11148901

IUPACtert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C12H24O2Si/c1-7-10(11-9-13-11)8-14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m0/s1
InChIKeyRZDVXUJIACNLKT-WDEREUQCSA-N
MW228.41 g/mol
LogP3.21
Rot. Bonds5

About tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane

tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane (PubChem CID 11148901) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane
PubChem CID11148901
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane
SMILESC=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1
InChIInChI=1S/C12H24O2Si/c1-7-10(11-9-13-11)8-14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m0/s1
InChIKeyRZDVXUJIACNLKT-WDEREUQCSA-N
XLogP3.21
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10332001
tert-butyl-dimethyl-[(2R)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10705360
tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 11564984
tert-butyl-dimethyl-[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 13895986
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 10976828
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]prop-2-enoxy]silane
CID 57626503
tert-butyl-dimethyl-[(1S)-1-(oxiran-2-yl)prop-2-enoxy]silane
CID 89628796
(2-Methyl-2,3-dihydrofuran-3-yl)methoxy-tri(propan-2-yl)silane
CID 142927109
Tert-butyl-dimethyl-[1-(oxiran-2-yl)prop-2-enoxy]silane
CID 10398357
tert-butyl-[(2R)-2-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 10538154

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane (CID 11148901) is tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane is C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
The InChIKey is RZDVXUJIACNLKT-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-10(11-9-13-11)8-14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane is sourced from PubChem (CID 11148901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).