diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate

C16H30O4Si — CID 11243947

IUPACdiethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate
SMILESCCOC(=O)C(CCC/C=C\C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H30O4Si/c1-6-19-15(17)14(16(18)20-7-2)12-10-8-9-11-13-21(3,4)5/h9,11,14H,6-8,10,12-13H2,1-5H3/b11-9-
InChIKeyAGPRZWDEASEKEC-LUAWRHEFSA-N
MW314.50 g/mol
LogP3.79
Rot. Bonds10

About diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate

diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate (PubChem CID 11243947) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate
PubChem CID11243947
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namediethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate
SMILESCCOC(=O)C(CCC/C=C\C[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C16H30O4Si/c1-6-19-15(17)14(16(18)20-7-2)12-10-8-9-11-13-21(3,4)5/h9,11,14H,6-8,10,12-13H2,1-5H3/b11-9-
InChIKeyAGPRZWDEASEKEC-LUAWRHEFSA-N
XLogP3.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.79
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

Diethyl 2-cyclopenten-1-ylmalonate
CID 96203
Diethyl 2-pent-4-enylpropanedioate
CID 361718
diethyl 2-[(E)-hex-4-enyl]propanedioate
CID 10933666
Diethyl 2-(5-methyl-2-methylidenehex-4-enyl)propanedioate
CID 11334681
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Dimethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cycloprop-2-ene-1,1-dicarboxylate
CID 11416203
diethyl 2-[(1S)-cyclopent-2-en-1-yl]propanedioate
CID 11658644
diethyl 3-[(E)-2-trimethylsilylethenyl]cyclopent-3-ene-1,1-dicarboxylate
CID 14931221
diethyl 2-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylhex-1-en-3-yl]propanedioate
CID 24881699
Ethyl 3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 72761153
diethyl 2-[(4E)-5,9-dimethyl-2-methylidenedeca-4,8-dienyl]propanedioate
CID 102307777
dimethyl 2-[(Z)-non-4-enyl]propanedioate
CID 102409806

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate?
The IUPAC name of diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate (CID 11243947) is diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate.
What is the SMILES notation for diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate?
The canonical SMILES for diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate is CCOC(=O)C(CCC/C=C\C[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate?
The InChIKey is AGPRZWDEASEKEC-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-6-19-15(17)14(16(18)20-7-2)12-10-8-9-11-13-21(3,4)5/h9,11,14H,6-8,10,12-13H2,1-5H3/b11-9-.
What are the key properties of diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate?
diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate has a molecular weight of 314.50 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(Z)-6-trimethylsilylhex-4-enyl]propanedioate is sourced from PubChem (CID 11243947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).