2-(1-triethoxysilylethoxy)ethyl prop-2-enoate

C13H26O6Si — CID 175059321

IUPAC2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O6Si/c1-6-13(14)16-11-10-15-12(5)20(17-7-2,18-8-3)19-9-4/h6,12H,1,7-11H2,2-5H3
InChIKeyNYRQXTYEMPOIGO-UHFFFAOYSA-N
MW306.43 g/mol
LogP1.71
Rot. Bonds12

About 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate

2-(1-triethoxysilylethoxy)ethyl prop-2-enoate (PubChem CID 175059321) has the molecular formula C13H26O6Si and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
PubChem CID175059321
Molecular FormulaC13H26O6Si
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name2-(1-triethoxysilylethoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O6Si/c1-6-13(14)16-11-10-15-12(5)20(17-7-2,18-8-3)19-9-4/h6,12H,1,7-11H2,2-5H3
InChIKeyNYRQXTYEMPOIGO-UHFFFAOYSA-N
XLogP1.71
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
ethyl 2-methyl-4-prop-2-enoyloxybutanoate
CID 59157368
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
CID 141479415
4-[ethoxy(dimethyl)silyl]pentyl prop-2-enoate
CID 141445425
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
2-[ethoxy(diethyl)silyl]ethyl prop-2-enoate
CID 140668278
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[diethoxy(propyl)silyl]ethyl prop-2-enoate
CID 87194631
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
2-prop-2-enoyloxyethyl 2-bromopropanoate
CID 10131189
4-methylhexyl prop-2-enoate
CID 58980362

Frequently Asked Questions

What is the IUPAC name of 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate (CID 175059321) is 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate is C=CC(=O)OCCOC(C)[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate?
The InChIKey is NYRQXTYEMPOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6Si/c1-6-13(14)16-11-10-15-12(5)20(17-7-2,18-8-3)19-9-4/h6,12H,1,7-11H2,2-5H3.
What are the key properties of 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate?
2-(1-triethoxysilylethoxy)ethyl prop-2-enoate has a molecular weight of 306.43 g/mol, XLogP of 1.71, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-triethoxysilylethoxy)ethyl prop-2-enoate is sourced from PubChem (CID 175059321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).