diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate

C13H22O4Si — CID 101412879

IUPACdiethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C(=C\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-6-16-12(14)9-8-11(18(3,4)5)10-13(15)17-7-2/h8-10H,6-7H2,1-5H3/b9-8+,11-10+
InChIKeyGRJQUNZOWBZPHG-BNFZFUHLSA-N
MW270.40 g/mol
LogP2.47
Rot. Bonds6

About diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate

diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate (PubChem CID 101412879) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate.

Molecular Properties

Compound Namediethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate
PubChem CID101412879
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namediethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C(=C\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-6-16-12(14)9-8-11(18(3,4)5)10-13(15)17-7-2/h8-10H,6-7H2,1-5H3/b9-8+,11-10+
InChIKeyGRJQUNZOWBZPHG-BNFZFUHLSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Butyl sorbate
CID 5369076
(3-Acryloxypropyl)methyldimethoxysilane
CID 2756289
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Diethyl muconate, (E,E)-
CID 5369089
cis,cis-1,3-Butadiene-1,4-dicarboxylic acid, diethyl ester
CID 6328859
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
ethyl (E)-3-triethoxysilylbut-2-enoate
CID 146162553
ethyl (E)-2-triethoxysilylbut-2-enoate
CID 146162554
(E)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-butenoic Acid Ethyl Ester
CID 10490523

Frequently Asked Questions

What is the IUPAC name of diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
The IUPAC name of diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate (CID 101412879) is diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate.
What is the SMILES notation for diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
The canonical SMILES for diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate is CCOC(=O)/C=C/C(=C\C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
The InChIKey is GRJQUNZOWBZPHG-BNFZFUHLSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-6-16-12(14)9-8-11(18(3,4)5)10-13(15)17-7-2/h8-10H,6-7H2,1-5H3/b9-8+,11-10+.
What are the key properties of diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate has a molecular weight of 270.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate is sourced from PubChem (CID 101412879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).