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

C11H22O3Si2 — CID 14979604

IUPACmethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCOC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22O3Si2/c1-14-11(13)10(16(5,6)7)9(8-12)15(2,3)4/h10H,1-7H3
InChIKeyJFQDPZOUGSVTGO-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.50
Rot. Bonds4

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

methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (PubChem CID 14979604) has the molecular formula C11H22O3Si2 and a molecular weight of 258.47 g/mol. Its IUPAC name is methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.

Molecular Properties

Compound Namemethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
PubChem CID14979604
Molecular FormulaC11H22O3Si2
Molecular Weight258.47 g/mol
Exact Mass258.11
IUPAC Namemethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
SMILESCOC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C11H22O3Si2/c1-14-11(13)10(16(5,6)7)9(8-12)15(2,3)4/h10H,1-7H3
InChIKeyJFQDPZOUGSVTGO-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.50
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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Related Compounds

Methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate
CID 14931876
Ethyl 3-triethylsilylbut-3-enoate
CID 146162379
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
Ethyl 1,2-bis(trimethylsilyl)cycloprop-2-ene-1-carboxylate
CID 10945060
1,2-Bis(trimethylsilyl)cyclopropene-3-carboxylic acid methyl ester
CID 12474703
Ethyl 5-trimethylsilylhexa-3,4-dienoate
CID 14691754
Propan-2-yl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979605
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147
4-Oxo-2,3-bis(trimethylsilyl)but-3-enoic acid
CID 101920842
Tert-butyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 134988476
ethyl (E)-2,4-bis(trimethylsilyl)but-3-enoate
CID 145865777
Methyl 2,3-bis[tert-butyl(dimethyl)silyl]-4-oxobut-3-enoate
CID 14979606

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The IUPAC name of methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate (CID 14979604) is methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate.
What is the SMILES notation for methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The canonical SMILES for methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is COC(=O)C(C(=C=O)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
The InChIKey is JFQDPZOUGSVTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si2/c1-14-11(13)10(16(5,6)7)9(8-12)15(2,3)4/h10H,1-7H3.
What are the key properties of methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate?
methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate has a molecular weight of 258.47 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate is sourced from PubChem (CID 14979604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).