diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate

C15H26O4Si — CID 135016900

IUPACdiethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate
SMILESCCOC(=O)/C=C(C)/C(C(=O)OCC)=C(/C)[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-8-18-13(16)10-11(3)14(15(17)19-9-2)12(4)20(5,6)7/h10H,8-9H2,1-7H3/b11-10+,14-12+
InChIKeyLGWWWMIAAWOBNV-CYZWUHAYSA-N
MW298.46 g/mol
LogP3.25
Rot. Bonds6

About diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate

diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate (PubChem CID 135016900) has the molecular formula C15H26O4Si and a molecular weight of 298.46 g/mol. Its IUPAC name is diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate.

Molecular Properties

Compound Namediethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate
PubChem CID135016900
Molecular FormulaC15H26O4Si
Molecular Weight298.46 g/mol
Exact Mass298.16
IUPAC Namediethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate
SMILESCCOC(=O)/C=C(C)/C(C(=O)OCC)=C(/C)[Si](C)(C)C
InChIInChI=1S/C15H26O4Si/c1-8-18-13(16)10-11(3)14(15(17)19-9-2)12(4)20(5,6)7/h10H,8-9H2,1-7H3/b11-10+,14-12+
InChIKeyLGWWWMIAAWOBNV-CYZWUHAYSA-N
XLogP3.25
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 53.25
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

(E)-diethyl 3-methylpent-2-enedioate
CID 1715082
3-Methylglutaconic acid methyl ethyl ester
CID 5466576
(3E)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 16094032
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
CID 101412878
(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 134995349
Diethyl 3-methylpent-2-enedioate
CID 253122
ethyl (2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienoate
CID 11150309
ethyl (2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexa-2,4-dienoate
CID 11289533
[(E)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 11369632
[(Z)-3-(acetyloxymethyl)-2-methylidene-5-trimethylsilylpent-3-enyl] acetate
CID 15535324
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401
Ethyl 2-(trimethylsilylmethyl)hex-2-enoate
CID 86153059

Frequently Asked Questions

What is the IUPAC name of diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate?
The IUPAC name of diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate (CID 135016900) is diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate.
What is the SMILES notation for diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate?
The canonical SMILES for diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate is CCOC(=O)/C=C(C)/C(C(=O)OCC)=C(/C)[Si](C)(C)C.
What is the InChIKey of diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate?
The InChIKey is LGWWWMIAAWOBNV-CYZWUHAYSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-8-18-13(16)10-11(3)14(15(17)19-9-2)12(4)20(5,6)7/h10H,8-9H2,1-7H3/b11-10+,14-12+.
What are the key properties of diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate?
diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate has a molecular weight of 298.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E,4E)-3-methyl-4-(1-trimethylsilylethylidene)pent-2-enedioate is sourced from PubChem (CID 135016900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).