ethyl (E)-2-triethoxysilylbut-2-enoate

C12H24O5Si — CID 146162554

IUPACethyl (E)-2-triethoxysilylbut-2-enoate
SMILESC/C=C(\C(=O)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-6-11(12(13)14-7-2)18(15-8-3,16-9-4)17-10-5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyMMFIBALAWKCSRG-IZZDOVSWSA-N
MW276.40 g/mol
LogP2.08
Rot. Bonds9

About ethyl (E)-2-triethoxysilylbut-2-enoate

ethyl (E)-2-triethoxysilylbut-2-enoate (PubChem CID 146162554) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is ethyl (E)-2-triethoxysilylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-triethoxysilylbut-2-enoate
PubChem CID146162554
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Nameethyl (E)-2-triethoxysilylbut-2-enoate
SMILESC/C=C(\C(=O)OCC)[Si](OCC)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-6-11(12(13)14-7-2)18(15-8-3,16-9-4)17-10-5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyMMFIBALAWKCSRG-IZZDOVSWSA-N
XLogP2.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.08
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

Diethyl fumarate
CID 638144
Diethyl Maleate
CID 5271566
Dibutyl maleate
CID 5271569
Dibutyl fumarate
CID 5271570
Dipropyl maleate
CID 5271567
Acryloxypropyltrimethoxysilane
CID 151204
2-Butenedioic acid (2E)-, 1,4-dipropyl ester
CID 5271568
(3-Acryloxypropyl)methyldimethoxysilane
CID 2756289
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Dibutyl but-2-enedioate
CID 7774
3-(Triethoxysilyl)propyl prop-2-enoate
CID 11119352

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-triethoxysilylbut-2-enoate?
The IUPAC name of ethyl (E)-2-triethoxysilylbut-2-enoate (CID 146162554) is ethyl (E)-2-triethoxysilylbut-2-enoate.
What is the SMILES notation for ethyl (E)-2-triethoxysilylbut-2-enoate?
The canonical SMILES for ethyl (E)-2-triethoxysilylbut-2-enoate is C/C=C(\C(=O)OCC)[Si](OCC)(OCC)OCC.
What is the InChIKey of ethyl (E)-2-triethoxysilylbut-2-enoate?
The InChIKey is MMFIBALAWKCSRG-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-6-11(12(13)14-7-2)18(15-8-3,16-9-4)17-10-5/h6H,7-10H2,1-5H3/b11-6+.
What are the key properties of ethyl (E)-2-triethoxysilylbut-2-enoate?
ethyl (E)-2-triethoxysilylbut-2-enoate has a molecular weight of 276.40 g/mol, XLogP of 2.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-triethoxysilylbut-2-enoate is sourced from PubChem (CID 146162554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).