diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate

C20H38O4Si — CID 10785421

IUPACdiethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate
SMILESCCCCCC(/C=C/CC(C)(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C20H38O4Si/c1-8-11-12-14-17(25(5,6)7)15-13-16-20(4,18(21)23-9-2)19(22)24-10-3/h13,15,17H,8-12,14,16H2,1-7H3/b15-13+
InChIKeyIIRZILAGXYGICG-FYWRMAATSA-N
MW370.61 g/mol
LogP5.35
Rot. Bonds12

About diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate

diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate (PubChem CID 10785421) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate
PubChem CID10785421
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Namediethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate
SMILESCCCCCC(/C=C/CC(C)(C(=O)OCC)C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C20H38O4Si/c1-8-11-12-14-17(25(5,6)7)15-13-16-20(4,18(21)23-9-2)19(22)24-10-3/h13,15,17H,8-12,14,16H2,1-7H3/b15-13+
InChIKeyIIRZILAGXYGICG-FYWRMAATSA-N
XLogP5.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.61
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetraethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate
CID 134972619
diethyl 2-ethyl-2-[(E)-hept-1-enyl]propanedioate
CID 5385621
Dimethyl 3-triethylsilylcyclopent-3-ene-1,1-dicarboxylate
CID 10913555
dimethyl 2-[(2E,5Z)-5,6-bis(trimethylsilyl)hepta-2,5-dienyl]propanedioate
CID 102291835
dimethyl 2-(3-methylbut-2-enyl)-2-[(E)-3-triethylsilylprop-2-enyl]propanedioate
CID 102455542
diethyl 2-[(E)-non-2-enyl]-2-prop-2-enylpropanedioate
CID 87602497
diethyl 2-[(E)-dec-2-enyl]-2-prop-2-enylpropanedioate
CID 87602518
diethyl 2-[(E)-dodec-2-enyl]-2-prop-2-enylpropanedioate
CID 87602928
diethyl 2-methyl-2-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]propanedioate
CID 88842771
Diethyl 2-non-2-enyl-2-prop-2-enylpropanedioate
CID 90733510
Diethyl 2-dodec-2-enyl-2-prop-2-enylpropanedioate
CID 91508512
Diethyl 2-dec-2-enyl-2-prop-2-enylpropanedioate
CID 91580644

Frequently Asked Questions

What is the IUPAC name of diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate?
The IUPAC name of diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate (CID 10785421) is diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate.
What is the SMILES notation for diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate?
The canonical SMILES for diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate is CCCCCC(/C=C/CC(C)(C(=O)OCC)C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate?
The InChIKey is IIRZILAGXYGICG-FYWRMAATSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-8-11-12-14-17(25(5,6)7)15-13-16-20(4,18(21)23-9-2)19(22)24-10-3/h13,15,17H,8-12,14,16H2,1-7H3/b15-13+.
What are the key properties of diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate?
diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate has a molecular weight of 370.61 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-methyl-2-[(E)-4-trimethylsilylnon-2-enyl]propanedioate is sourced from PubChem (CID 10785421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).