silyl 2-ethenyl-2-phenylbut-3-enoate

C12H14O2Si — CID 123631953

IUPACsilyl 2-ethenyl-2-phenylbut-3-enoate
SMILESC=CC(C=C)(C(=O)O[SiH3])c1ccccc1
InChIInChI=1S/C12H14O2Si/c1-3-12(4-2,11(13)14-15)10-8-6-5-7-9-10/h3-9H,1-2H2,15H3
InChIKeyOXXJVFFUIGJPBH-UHFFFAOYSA-N
MW218.33 g/mol
LogP1.12
Rot. Bonds4

About silyl 2-ethenyl-2-phenylbut-3-enoate

silyl 2-ethenyl-2-phenylbut-3-enoate (PubChem CID 123631953) has the molecular formula C12H14O2Si and a molecular weight of 218.33 g/mol. Its IUPAC name is silyl 2-ethenyl-2-phenylbut-3-enoate.

Molecular Properties

Compound Namesilyl 2-ethenyl-2-phenylbut-3-enoate
PubChem CID123631953
Molecular FormulaC12H14O2Si
Molecular Weight218.33 g/mol
Exact Mass218.08
IUPAC Namesilyl 2-ethenyl-2-phenylbut-3-enoate
SMILESC=CC(C=C)(C(=O)O[SiH3])c1ccccc1
InChIInChI=1S/C12H14O2Si/c1-3-12(4-2,11(13)14-15)10-8-6-5-7-9-10/h3-9H,1-2H2,15H3
InChIKeyOXXJVFFUIGJPBH-UHFFFAOYSA-N
XLogP1.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 51.12
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'}

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Related Compounds

2-ethenyl-2-phenylbut-3-enamide
CID 121008159
ethenyl 2,2,2-triphenylacetate
CID 102123428
1,1-diphenylprop-2-enyl N,N-diphenylcarbamate
CID 139634924
silyl 2,2-dibenzyl-3-phenylpropanoate
CID 173057959
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
(1-ethenyl-1-phenylprop-2-enoxy)benzene
CID 67928175
3-phenylpentan-3-yl prop-2-enoate
CID 22709184
4,5-diamino-4,5-diphenylocta-1,7-diene-3,6-dione
CID 118555479
1-(1-amino-1-phenylprop-2-enoxy)-1-phenylprop-2-en-1-amine
CID 67646967
fluoro 2-methyl-2-phenylpent-4-enoate
CID 143008077
dibenzyl 2-phenyl-2-prop-2-enylpropanedioate
CID 171777576
prop-2-enyl 2-hydroxy-2,3-diphenylpropanoate
CID 54410738

Frequently Asked Questions

What is the IUPAC name of silyl 2-ethenyl-2-phenylbut-3-enoate?
The IUPAC name of silyl 2-ethenyl-2-phenylbut-3-enoate (CID 123631953) is silyl 2-ethenyl-2-phenylbut-3-enoate.
What is the SMILES notation for silyl 2-ethenyl-2-phenylbut-3-enoate?
The canonical SMILES for silyl 2-ethenyl-2-phenylbut-3-enoate is C=CC(C=C)(C(=O)O[SiH3])c1ccccc1.
What is the InChIKey of silyl 2-ethenyl-2-phenylbut-3-enoate?
The InChIKey is OXXJVFFUIGJPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2Si/c1-3-12(4-2,11(13)14-15)10-8-6-5-7-9-10/h3-9H,1-2H2,15H3.
What are the key properties of silyl 2-ethenyl-2-phenylbut-3-enoate?
silyl 2-ethenyl-2-phenylbut-3-enoate has a molecular weight of 218.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-ethenyl-2-phenylbut-3-enoate is sourced from PubChem (CID 123631953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).