ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate

C12H24O3Si2 — CID 14979602

IUPACethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCCOC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si2/c1-8-15-12(14)11(17(5,6)7)10(9-13)16(2,3)4/h11H,8H2,1-7H3
InChIKeyMIESAOVEPGHCKR-UHFFFAOYSA-N
MW272.49 g/mol
LogP2.89
Rot. Bonds5

About ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate

ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (PubChem CID 14979602) has the molecular formula C12H24O3Si2 and a molecular weight of 272.49 g/mol. Its IUPAC name is ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.

Molecular Properties

Compound Nameethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
PubChem CID14979602
Molecular FormulaC12H24O3Si2
Molecular Weight272.49 g/mol
Exact Mass272.13
IUPAC Nameethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCCOC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C12H24O3Si2/c1-8-15-12(14)11(17(5,6)7)10(9-13)16(2,3)4/h11H,8H2,1-7H3
InChIKeyMIESAOVEPGHCKR-UHFFFAOYSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The IUPAC name of ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (CID 14979602) is ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.
What is the SMILES notation for ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The canonical SMILES for ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is CCOC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The InChIKey is MIESAOVEPGHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si2/c1-8-15-12(14)11(17(5,6)7)10(9-13)16(2,3)4/h11H,8H2,1-7H3.
What are the key properties of ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate has a molecular weight of 272.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is sourced from PubChem (CID 14979602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).