6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate

C12H20O4Si — CID 134855158

IUPAC6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C(=C\C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H20O4Si/c1-6-16-11(13)8-7-10(17(3,4)5)9-12(14)15-2/h7-9H,6H2,1-5H3/b8-7+,10-9+
InChIKeyXSEFWCILJFZDLD-XBLVEGMJSA-N
MW256.37 g/mol
LogP2.08
Rot. Bonds5

About 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate

6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate (PubChem CID 134855158) has the molecular formula C12H20O4Si and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate.

Molecular Properties

Compound Name6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate
PubChem CID134855158
Molecular FormulaC12H20O4Si
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate
SMILESCCOC(=O)/C=C/C(=C\C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C12H20O4Si/c1-6-16-11(13)8-7-10(17(3,4)5)9-12(14)15-2/h7-9H,6H2,1-5H3/b8-7+,10-9+
InChIKeyXSEFWCILJFZDLD-XBLVEGMJSA-N
XLogP2.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.08
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'}

Analyze 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
The IUPAC name of 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate (CID 134855158) is 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate.
What is the SMILES notation for 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
The canonical SMILES for 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate is CCOC(=O)/C=C/C(=C\C(=O)OC)[Si](C)(C)C.
What is the InChIKey of 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
The InChIKey is XSEFWCILJFZDLD-XBLVEGMJSA-N. The full InChI is InChI=1S/C12H20O4Si/c1-6-16-11(13)8-7-10(17(3,4)5)9-12(14)15-2/h7-9H,6H2,1-5H3/b8-7+,10-9+.
What are the key properties of 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate?
6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate has a molecular weight of 256.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-ethyl 1-O-methyl (2E,4E)-3-trimethylsilylhexa-2,4-dienedioate is sourced from PubChem (CID 134855158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).