tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane

C12H24O2Si — CID 73115515

IUPACtert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
SMILESC=C(C)C1OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-9(2)11-10(14-11)8-13-15(6,7)12(3,4)5/h10-11H,1,8H2,2-7H3
InChIKeyPXGURGSPBMVQAP-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.35
Rot. Bonds4

About tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane

tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane (PubChem CID 73115515) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
PubChem CID73115515
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane
SMILESC=C(C)C1OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-9(2)11-10(14-11)8-13-15(6,7)12(3,4)5/h10-11H,1,8H2,2-7H3
InChIKeyPXGURGSPBMVQAP-UHFFFAOYSA-N
XLogP3.35
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-[[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 11160538
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-[(2S)-2-methoxy-4-methylpent-4-enoxy]-dimethylsilane
CID 16726469
tert-butyl-dimethyl-[[(2R,3S)-3-methyl-3-[(E)-1-tri(propan-2-yl)silylprop-1-en-2-yl]oxiran-2-yl]methoxy]silane
CID 54597403
tert-butyl-[[(2R,3S)-3-[(E)-1-iodoprop-1-en-2-yl]-3-methyloxiran-2-yl]methoxy]-dimethylsilane
CID 54597404
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
tert-butyl-[[(2R,3R)-3-ethenyloxiran-2-yl]methoxy]-dimethylsilane
CID 11206675
Tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane
CID 22177672
tert-butyl-[[(2R,3S)-3-ethenyloxiran-2-yl]methoxy]-dimethylsilane
CID 59482156
Triethoxy-[2-methylidene-3-(oxiran-2-ylmethoxy)pentyl]silane
CID 174679672
Triethoxy-[2-methyl-3-(oxiran-2-ylmethoxy)pent-1-enyl]silane
CID 174679673

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane (CID 73115515) is tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane is C=C(C)C1OC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane?
The InChIKey is PXGURGSPBMVQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-9(2)11-10(14-11)8-13-15(6,7)12(3,4)5/h10-11H,1,8H2,2-7H3.
What are the key properties of tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane?
tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3-prop-1-en-2-yloxiran-2-yl)methoxy]silane is sourced from PubChem (CID 73115515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).