[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane

C11H22OSi — CID 134928457

IUPAC[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane
SMILESCCCC[C@H]1O[C@@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-7-10-11(12-10)8-9-13(2,3)4/h8-11H,5-7H2,1-4H3/b9-8+/t10-,11-/m1/s1
InChIKeyLJUVMBWHQZEBQX-WUNNSPOASA-N
MW198.38 g/mol
LogP3.38
Rot. Bonds5

About [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane

[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane (PubChem CID 134928457) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane
PubChem CID134928457
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane
SMILESCCCC[C@H]1O[C@@H]1/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-7-10-11(12-10)8-9-13(2,3)4/h8-11H,5-7H2,1-4H3/b9-8+/t10-,11-/m1/s1
InChIKeyLJUVMBWHQZEBQX-WUNNSPOASA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Ethenyl-3-octyloxirane
CID 11332855
(2S,3S)-2-ethenyl-3-heptyloxirane
CID 57702326
(2S,3R)-2-decyl-3-ethenyloxirane
CID 10608538
trimethyl-[(E)-2-[(2R,3S)-3-methyloxiran-2-yl]ethenyl]silane
CID 11513786
Trimethyl-(3-oct-7-enyloxiran-2-yl)silane
CID 12007021
(2S,3R)-2-ethenyl-3-octyloxirane
CID 12669131
(2S,3S)-2-Ethenyl-3-pentyloxirane
CID 12671765
triethyl-[(E)-6-(oxiran-2-yl)hex-1-enyl]silane
CID 45140255
Tert-butyl-(3-ethenyl-2-methyloxiran-2-yl)-dimethylsilane
CID 72974056
2-(2-Butyl-3-ethenyloxiran-2-yl)ethynyl-trimethylsilane
CID 73834601
(2R,3S)-2-ethenyl-3-heptyloxirane
CID 100956018
triethyl-[(E)-2-(oxan-2-yl)ethenyl]silane
CID 134944935

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane?
The IUPAC name of [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane (CID 134928457) is [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane?
The canonical SMILES for [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane is CCCC[C@H]1O[C@@H]1/C=C/[Si](C)(C)C.
What is the InChIKey of [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane?
The InChIKey is LJUVMBWHQZEBQX-WUNNSPOASA-N. The full InChI is InChI=1S/C11H22OSi/c1-5-6-7-10-11(12-10)8-9-13(2,3)4/h8-11H,5-7H2,1-4H3/b9-8+/t10-,11-/m1/s1.
What are the key properties of [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane?
[(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(2R,3R)-3-butyloxiran-2-yl]ethenyl]-trimethylsilane is sourced from PubChem (CID 134928457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).