2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane

C13H20OSi — CID 134993019

IUPAC2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
SMILESC/C=C/C1(/C=C/C)OC1C#C[Si](C)(C)C
InChIInChI=1S/C13H20OSi/c1-6-9-13(10-7-2)12(14-13)8-11-15(3,4)5/h6-7,9-10,12H,1-5H3/b9-6+,10-7+
InChIKeyVNGYMRIGQFEEOA-KZZDLZNXSA-N
MW220.39 g/mol
LogP3.16
Rot. Bonds2

About 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane

2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane (PubChem CID 134993019) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
PubChem CID134993019
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
SMILESC/C=C/C1(/C=C/C)OC1C#C[Si](C)(C)C
InChIInChI=1S/C13H20OSi/c1-6-9-13(10-7-2)12(14-13)8-11-15(3,4)5/h6-7,9-10,12H,1-5H3/b9-6+,10-7+
InChIKeyVNGYMRIGQFEEOA-KZZDLZNXSA-N
XLogP3.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 53.16
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
2-(3-Ethenyl-2-ethyloxiran-2-yl)ethynyl-trimethylsilane
CID 134885868
3-ethynyl-2,2-bis[(E)-prop-1-enyl]oxirane
CID 134992626
tert-butyl-dimethyl-[(E)-3-(3-methyloxiran-2-yl)prop-2-enoxy]silane
CID 102461532
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
CID 10515259
tert-butyl-dimethyl-[(E)-3-[(2R,3R)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 10609427
trimethyl-[2-[(2R,3R)-3-[(E)-prop-1-enyl]oxiran-2-yl]ethynyl]silane
CID 10888535
2-[(2R,3R)-3-ethenyl-3-methyloxiran-2-yl]ethynyl-trimethylsilane
CID 11126871
tert-butyl-[(Z)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane
CID 21626839
2-(3-Ethenyl-3-methyloxiran-2-yl)ethynyl-trimethylsilane
CID 85408470
trimethyl-[2-[(2S,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]ethynyl]silane
CID 101127999
tert-butyl-[(E)-4-[(2S,3S)-3-ethenyl-3-methyloxiran-2-yl]-2-methylbut-3-en-2-yl]oxy-dimethylsilane
CID 101137268

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane?
The IUPAC name of 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane (CID 134993019) is 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane is C/C=C/C1(/C=C/C)OC1C#C[Si](C)(C)C.
What is the InChIKey of 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane?
The InChIKey is VNGYMRIGQFEEOA-KZZDLZNXSA-N. The full InChI is InChI=1S/C13H20OSi/c1-6-9-13(10-7-2)12(14-13)8-11-15(3,4)5/h6-7,9-10,12H,1-5H3/b9-6+,10-7+.
What are the key properties of 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane?
2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane has a molecular weight of 220.39 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane is sourced from PubChem (CID 134993019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).