[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate

C15H22O4Si — CID 175514532

IUPAC[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1[Si](CC)(OCC)OCC
InChIInChI=1S/C15H22O4Si/c1-5-15(16)19-13-11-9-10-12-14(13)20(8-4,17-6-2)18-7-3/h5,9-12H,1,6-8H2,2-4H3
InChIKeyMFILABDSEUUHIS-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.52
Rot. Bonds8

About [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate

[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate (PubChem CID 175514532) has the molecular formula C15H22O4Si and a molecular weight of 294.42 g/mol. Its IUPAC name is [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate
PubChem CID175514532
Molecular FormulaC15H22O4Si
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1[Si](CC)(OCC)OCC
InChIInChI=1S/C15H22O4Si/c1-5-15(16)19-13-11-9-10-12-14(13)20(8-4,17-6-2)18-7-3/h5,9-12H,1,6-8H2,2-4H3
InChIKeyMFILABDSEUUHIS-UHFFFAOYSA-N
XLogP2.52
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl) prop-2-enoate
CID 22987486
CID 67461549
CID 67461549
[2-(methylaminomethyl)phenyl] prop-2-enoate
CID 175008557
naphthalen-1-yl prop-2-enoate
CID 10192638
(2-hexadecylphenyl) prop-2-enoate
CID 141143244
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
[2-[(2-prop-2-enoyloxyphenyl)diazenyl]phenyl] prop-2-enoate
CID 89405419
(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate
CID 174047919
(2-ethoxyphenyl) prop-2-enoate;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 175484421
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
CID 57198834
(2-nitrooxyphenyl) prop-2-enoate
CID 142166891

Frequently Asked Questions

What is the IUPAC name of [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate?
The IUPAC name of [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate (CID 175514532) is [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate.
What is the SMILES notation for [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate?
The canonical SMILES for [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate is C=CC(=O)Oc1ccccc1[Si](CC)(OCC)OCC.
What is the InChIKey of [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate?
The InChIKey is MFILABDSEUUHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4Si/c1-5-15(16)19-13-11-9-10-12-14(13)20(8-4,17-6-2)18-7-3/h5,9-12H,1,6-8H2,2-4H3.
What are the key properties of [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate?
[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate has a molecular weight of 294.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate is sourced from PubChem (CID 175514532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).