2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate

C20H40O5Si — CID 151648316

IUPAC2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO[Si](CCCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C20H40O5Si/c1-5-9-10-11-12-13-14-15-16-19-26(23-7-3,24-8-4)25-18-17-22-20(21)6-2/h6H,2,5,7-19H2,1,3-4H3
InChIKeyQTZFIKBAIKSHHN-UHFFFAOYSA-N
MW388.62 g/mol
LogP5.27
Rot. Bonds19

About 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate

2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate (PubChem CID 151648316) has the molecular formula C20H40O5Si and a molecular weight of 388.62 g/mol. Its IUPAC name is 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
PubChem CID151648316
Molecular FormulaC20H40O5Si
Molecular Weight388.62 g/mol
Exact Mass388.26
IUPAC Name2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCO[Si](CCCCCCCCCCC)(OCC)OCC
InChIInChI=1S/C20H40O5Si/c1-5-9-10-11-12-13-14-15-16-19-26(23-7-3,24-8-4)25-18-17-22-20(21)6-2/h6H,2,5,7-19H2,1,3-4H3
InChIKeyQTZFIKBAIKSHHN-UHFFFAOYSA-N
XLogP5.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.62
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
decyl prop-2-enoate
CID 162172023
pentatriacontyl prop-2-enoate
CID 141309454
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate (CID 151648316) is 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate is C=CC(=O)OCCO[Si](CCCCCCCCCCC)(OCC)OCC.
What is the InChIKey of 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate?
The InChIKey is QTZFIKBAIKSHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5Si/c1-5-9-10-11-12-13-14-15-16-19-26(23-7-3,24-8-4)25-18-17-22-20(21)6-2/h6H,2,5,7-19H2,1,3-4H3.
What are the key properties of 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate?
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate has a molecular weight of 388.62 g/mol, XLogP of 5.27, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate is sourced from PubChem (CID 151648316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).