tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane

C11H22OSi — CID 72974056

IUPACtert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
SMILESC=CC1OC1(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9-11(5,12-9)13(6,7)10(2,3)4/h8-9H,1H2,2-7H3
InChIKeyZOTWBFUPGNIQRO-UHFFFAOYSA-N
MW198.38 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane

tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane (PubChem CID 72974056) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
PubChem CID72974056
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Nametert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
SMILESC=CC1OC1(C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-9-11(5,12-9)13(6,7)10(2,3)4/h8-9H,1H2,2-7H3
InChIKeyZOTWBFUPGNIQRO-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

trimethyl-[(2S,3S)-3-[(E)-2-trimethylsilylethenyl]oxiran-2-yl]silane
CID 11447224
[(E)-2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethenyl]-trimethylsilane
CID 10487752
trimethyl-[(E)-2-[(2R,3S)-3-methyloxiran-2-yl]ethenyl]silane
CID 11513786
tert-butyl-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]ethoxy]-dimethylsilane
CID 11806435
tert-butyl-[(2S,3R)-3-ethenyloxiran-2-yl]-dimethylsilane
CID 11816276
Tert-butyl-[(3-ethenyloxiran-2-yl)methoxy]-dimethylsilane
CID 72750800
tert-butyl-[(2S,3R)-3-ethenyl-2-trimethylsilyloxiran-2-yl]-dimethylsilane
CID 101267810
tert-butyl-[(2S,3S)-3-ethenyloxiran-2-yl]-dimethylsilane
CID 101394296
tert-butyl-dimethyl-[(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-yl]oxysilane
CID 102183142
trimethyl-[2-[(2R)-oxiran-2-yl]prop-2-enyl]silane
CID 125487230
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
trimethyl-[(2R,3R)-3-[(E)-2-trimethylsilylethenyl]oxiran-2-yl]silane
CID 134896206

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane (CID 72974056) is tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane is C=CC1OC1(C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane?
The InChIKey is ZOTWBFUPGNIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-9-11(5,12-9)13(6,7)10(2,3)4/h8-9H,1H2,2-7H3.
What are the key properties of tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane?
tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane is sourced from PubChem (CID 72974056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).