diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate

C13H24O4Si — CID 134981047

IUPACdiethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESCCOC(=O)C(C/C=C\[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C13H24O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h8,10-11H,6-7,9H2,1-5H3/b10-8-
InChIKeyXKUCDFXTMGQZER-NTMALXAHSA-N
MW272.42 g/mol
LogP2.55
Rot. Bonds7

About diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate

diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate (PubChem CID 134981047) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
PubChem CID134981047
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Namediethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
SMILESCCOC(=O)C(C/C=C\[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C13H24O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h8,10-11H,6-7,9H2,1-5H3/b10-8-
InChIKeyXKUCDFXTMGQZER-NTMALXAHSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Diethyl allylmalonate
CID 74900
Prop-2-enyl-propanedioic acid dibutyl ester
CID 53662645
Bis(2-methylpropyl) 2-fluoro-2-prop-2-enylpropanedioate
CID 171777583
Diethyl 2-(1-methyl-2-propenyl)malonate
CID 533777
diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
dimethyl 2-prop-2-enyl-2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 101121422
Dimethyl 2-methyl-2-(5-trimethylsilylpenta-2,3-dienyl)propanedioate
CID 101128127
Diethyl 2-(3-(triethoxysilyl)allyl)malonate
CID 129695873
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
Triethyl 5-trimethylsilylpenta-3,4-diene-1,1,1-tricarboxylate
CID 134943726
methyl (3R,4S)-2-oxo-4-(1-triethylsilylethenyl)oxolane-3-carboxylate
CID 135037934
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate?
The IUPAC name of diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate (CID 134981047) is diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate is CCOC(=O)C(C/C=C\[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate?
The InChIKey is XKUCDFXTMGQZER-NTMALXAHSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h8,10-11H,6-7,9H2,1-5H3/b10-8-.
What are the key properties of diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate?
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate has a molecular weight of 272.42 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate is sourced from PubChem (CID 134981047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).