ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate

C11H22O5Si — CID 6436928

IUPACethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate
SMILESCCOC(=O)/C=C(\C)O[Si](C)(OCC)OCC
InChIInChI=1S/C11H22O5Si/c1-6-13-11(12)9-10(4)16-17(5,14-7-2)15-8-3/h9H,6-8H2,1-5H3/b10-9+
InChIKeyCVYZQFKHZWFVKA-MDZDMXLPSA-N
MW262.38 g/mol
LogP2.11
Rot. Bonds8

About ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate

ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate (PubChem CID 6436928) has the molecular formula C11H22O5Si and a molecular weight of 262.38 g/mol. Its IUPAC name is ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate
PubChem CID6436928
Molecular FormulaC11H22O5Si
Molecular Weight262.38 g/mol
Exact Mass262.12
IUPAC Nameethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate
SMILESCCOC(=O)/C=C(\C)O[Si](C)(OCC)OCC
InChIInChI=1S/C11H22O5Si/c1-6-13-11(12)9-10(4)16-17(5,14-7-2)15-8-3/h9H,6-8H2,1-5H3/b10-9+
InChIKeyCVYZQFKHZWFVKA-MDZDMXLPSA-N
XLogP2.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate?
The IUPAC name of ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate (CID 6436928) is ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate.
What is the SMILES notation for ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate?
The canonical SMILES for ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate is CCOC(=O)/C=C(\C)O[Si](C)(OCC)OCC.
What is the InChIKey of ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate?
The InChIKey is CVYZQFKHZWFVKA-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22O5Si/c1-6-13-11(12)9-10(4)16-17(5,14-7-2)15-8-3/h9H,6-8H2,1-5H3/b10-9+.
What are the key properties of ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate?
ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate has a molecular weight of 262.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[diethoxy(methyl)silyl]oxybut-2-enoate is sourced from PubChem (CID 6436928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).