(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate

C18H28O5Si — CID 174047919

IUPAC(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate
SMILESC=CC(=O)OCC(Cc1ccccc1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H28O5Si/c1-5-18(19)20-15-17(14-16-12-10-9-11-13-16)24(21-6-2,22-7-3)23-8-4/h5,9-13,17H,1,6-8,14-15H2,2-4H3
InChIKeyJGONEJMKBZXECI-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.38
Rot. Bonds12

About (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate

(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate (PubChem CID 174047919) has the molecular formula C18H28O5Si and a molecular weight of 352.50 g/mol. Its IUPAC name is (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate.

Molecular Properties

Compound Name(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate
PubChem CID174047919
Molecular FormulaC18H28O5Si
Molecular Weight352.50 g/mol
Exact Mass352.17
IUPAC Name(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate
SMILESC=CC(=O)OCC(Cc1ccccc1)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H28O5Si/c1-5-18(19)20-15-17(14-16-12-10-9-11-13-16)24(21-6-2,22-7-3)23-8-4/h5,9-13,17H,1,6-8,14-15H2,2-4H3
InChIKeyJGONEJMKBZXECI-UHFFFAOYSA-N
XLogP3.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenylbutan-2-yl(triethoxy)silane
CID 174529704
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
2-benzyl-3-ethoxy-3-oxopropanoic acid;ethane
CID 91542343
anthracene-9,10-dione;ethyl prop-2-enoate
CID 70637632
methyl 2-benzyl-3-triethoxysilylpropanoate
CID 101367769
benzyl prop-2-enoate;ethyl(trimethoxy)silane
CID 174910420
[2-[diethoxy(ethyl)silyl]phenyl] prop-2-enoate
CID 175514532
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
CID 175059321
(2-amino-3-phenoxypropyl) prop-2-enoate
CID 69463364
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
(Z)-but-2-enedioic acid;2-hydroxypropyl prop-2-enoate;styrene
CID 159660578

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate?
The IUPAC name of (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate (CID 174047919) is (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate.
What is the SMILES notation for (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate?
The canonical SMILES for (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate is C=CC(=O)OCC(Cc1ccccc1)[Si](OCC)(OCC)OCC.
What is the InChIKey of (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate?
The InChIKey is JGONEJMKBZXECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5Si/c1-5-18(19)20-15-17(14-16-12-10-9-11-13-16)24(21-6-2,22-7-3)23-8-4/h5,9-13,17H,1,6-8,14-15H2,2-4H3.
What are the key properties of (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate?
(3-phenyl-2-triethoxysilylpropyl) prop-2-enoate has a molecular weight of 352.50 g/mol, XLogP of 3.38, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-2-triethoxysilylpropyl) prop-2-enoate is sourced from PubChem (CID 174047919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).