tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane

C12H24O2Si — CID 134963399

IUPACtert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C12H24O2Si/c1-7-8-10(11-9-13-11)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeySQPFHGPLPREXML-QWRGUYRKSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds5

About tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane

tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane (PubChem CID 134963399) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
PubChem CID134963399
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CO1
InChIInChI=1S/C12H24O2Si/c1-7-8-10(11-9-13-11)14-15(5,6)12(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeySQPFHGPLPREXML-QWRGUYRKSA-N
XLogP3.35
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 ≤ 53.35
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-(3,4-dihydro-2H-pyran-2-ylmethoxy)-dimethylsilane
CID 134858905
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-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-dimethyl-[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 13895986
tert-butyl-[(2S)-2-methoxy-4-methylpent-4-enoxy]-dimethylsilane
CID 16726469
tert-butyl-dimethyl-[(1R)-1-[(2R)-oxiran-2-yl]prop-2-enoxy]silane
CID 25224257
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
Tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
CID 73115515
tert-butyl-dimethyl-[(3S,5R)-5-prop-2-enyloxolan-3-yl]oxysilane
CID 101748377
trimethyl-[(1R)-1-[(2S)-oxiran-2-yl]prop-2-enoxy]silane
CID 134863495

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane (CID 134963399) is tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane is C=CC[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]but-3-enoxy]silane?
The InChIKey is SQPFHGPLPREXML-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-10(11-9-13-11)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-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane?
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 5 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]but-3-enoxy]silane is sourced from PubChem (CID 134963399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).