methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate

C9H16O3Si — CID 14931876

IUPACmethyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate
SMILESCOC(=O)C(C)C(=C=O)[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-7(9(11)12-2)8(6-10)13(3,4)5/h7H,1-5H3
InChIKeyYKLDBHAMBZHTQP-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.43
Rot. Bonds3

About methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate

methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate (PubChem CID 14931876) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate
PubChem CID14931876
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Namemethyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate
SMILESCOC(=O)C(C)C(=C=O)[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-7(9(11)12-2)8(6-10)13(3,4)5/h7H,1-5H3
InChIKeyYKLDBHAMBZHTQP-UHFFFAOYSA-N
XLogP1.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.43
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

AG-G-75877
CID 11769254
Ethyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979602
1,2-Bis(trimethylsilyl)cyclopropene-3-carboxylic acid methyl ester
CID 12474703
Methyl 4-oxo-2,3-bis(trimethylsilyl)but-3-enoate
CID 14979604
Ethyl 3-trimethylsilylpenta-3,4-dienoate
CID 85804147
ethyl (2S)-2,6,6-trimethyl-3-trimethylsilylhepta-3,4-dienoate
CID 164685523
ethyl (2R)-2,6,6-trimethyl-3-trimethylsilylhepta-3,4-dienoate
CID 164685696
ethyl (2S)-2-methyl-3-trimethylsilylhexa-3,4-dienoate
CID 164686466
ethyl (2S)-2,6-dimethyl-3-trimethylsilylhepta-3,4-dienoate
CID 164686793
ethyl (2R)-2,6-dimethyl-3-trimethylsilylhepta-3,4-dienoate
CID 164687123
ethyl (2R)-2-methyl-3-trimethylsilylhexa-3,4-dienoate
CID 164687124
Propionic acid, 2-methyl-3-(trimethylsilyl)-, methyl ester
CID 552617

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate?
The IUPAC name of methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate (CID 14931876) is methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate.
What is the SMILES notation for methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate?
The canonical SMILES for methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate is COC(=O)C(C)C(=C=O)[Si](C)(C)C.
What is the InChIKey of methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate?
The InChIKey is YKLDBHAMBZHTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-7(9(11)12-2)8(6-10)13(3,4)5/h7H,1-5H3.
What are the key properties of methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate?
methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate has a molecular weight of 200.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-3-trimethylsilylbut-3-enoate is sourced from PubChem (CID 14931876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).