[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane

C13H17ClOSi — CID 15879825

IUPAC[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C1OC1c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClOSi/c1-16(2,3)9-8-12-13(15-12)10-4-6-11(14)7-5-10/h4-9,12-13H,1-3H3/b9-8+
InChIKeyPCPFXRNIKPWYTE-CMDGGOBGSA-N
MW252.82 g/mol
LogP4.21
Rot. Bonds3

About [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane

[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane (PubChem CID 15879825) has the molecular formula C13H17ClOSi and a molecular weight of 252.82 g/mol. Its IUPAC name is [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane
PubChem CID15879825
Molecular FormulaC13H17ClOSi
Molecular Weight252.82 g/mol
Exact Mass252.07
IUPAC Name[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C1OC1c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClOSi/c1-16(2,3)9-8-12-13(15-12)10-4-6-11(14)7-5-10/h4-9,12-13H,1-3H3/b9-8+
InChIKeyPCPFXRNIKPWYTE-CMDGGOBGSA-N
XLogP4.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.82
LogP ≤ 54.21
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

trimethyl-[(E)-2-[(2R,3S)-3-(4-methylphenyl)oxiran-2-yl]ethenyl]silane
CID 101241774
(2S)-2-(4-chlorophenyl)-3-ethenyloxirane
CID 101260589
2-(4-chlorophenyl)-3-propyloxirane
CID 85290770
(2S,3R)-2,3-bis(4-chlorophenyl)-1,4-dioxane
CID 71365494
(2R,3R,5S,6S)-2,6-bis(4-chlorophenyl)-3,5-dimethyloxan-4-ol
CID 139065834
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
1-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]ethanone
CID 101197056
2-(4-chlorophenyl)-6-cyclopropyl-3-methylmorpholine
CID 63297543
(2S,3R,5R,6R)-2,6-bis(4-chlorophenyl)-1,4-oxathiane-3,5-dicarbonitrile
CID 92529222
[(E)-2-(3,3-diphenyloxiran-2-yl)ethenyl]-trimethylsilane
CID 11833308
[(E)-3-(4-chlorophenoxy)prop-1-enyl]-trimethylsilane
CID 177477896
2-(4-chlorophenyl)-3-methyl-1,4-oxazepane
CID 43498435

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane?
The IUPAC name of [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane (CID 15879825) is [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane.
What is the SMILES notation for [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane?
The canonical SMILES for [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane is C[Si](C)(C)/C=C/C1OC1c1ccc(Cl)cc1.
What is the InChIKey of [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane?
The InChIKey is PCPFXRNIKPWYTE-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17ClOSi/c1-16(2,3)9-8-12-13(15-12)10-4-6-11(14)7-5-10/h4-9,12-13H,1-3H3/b9-8+.
What are the key properties of [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane?
[(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane has a molecular weight of 252.82 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[3-(4-chlorophenyl)oxiran-2-yl]ethenyl]-trimethylsilane is sourced from PubChem (CID 15879825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).