diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate

C14H24O4Si — CID 101412878

IUPACdiethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
SMILESC=C(C/C(=C\C(=O)OCC)[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H24O4Si/c1-7-17-13(15)10-12(19(4,5)6)9-11(3)14(16)18-8-2/h10H,3,7-9H2,1-2,4-6H3/b12-10+
InChIKeyKAIJFSDVASFPHV-ZRDIBKRKSA-N
MW284.43 g/mol
LogP2.86
Rot. Bonds7

About diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate

diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate (PubChem CID 101412878) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate.

Molecular Properties

Compound Namediethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
PubChem CID101412878
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Namediethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate
SMILESC=C(C/C(=C\C(=O)OCC)[Si](C)(C)C)C(=O)OCC
InChIInChI=1S/C14H24O4Si/c1-7-17-13(15)10-12(19(4,5)6)9-11(3)14(16)18-8-2/h10H,3,7-9H2,1-2,4-6H3/b12-10+
InChIKeyKAIJFSDVASFPHV-ZRDIBKRKSA-N
XLogP2.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.86
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'}

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Related Compounds

(E)-diethyl 3-methylpent-2-enedioate
CID 1715082
methyl (2Z)-7-methyl-3-(trimethylsilylmethyl)octa-2,6-dienoate
CID 11010538
ethyl (E)-6-trimethylsilyloxyhex-2-enoate
CID 15947845
(3E)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 16094032
(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 134995349
Diethyl 3-methylpent-2-enedioate
CID 253122
(E)-ethyl 6-(tert-butyldimethylsilyloxy)hex-2-enoate
CID 10826090
diethyl (E)-2-propylbut-2-enedioate
CID 12508253
diethyl (Z)-2-propan-2-ylbut-2-enedioate
CID 12644245
Diethyl hex-2-enedioate
CID 53959253
Diethyl 2-ethylbut-2-enedioate
CID 54054921
ethyl (E)-2-ethylpent-2-enoate
CID 87786237

Frequently Asked Questions

What is the IUPAC name of diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate?
The IUPAC name of diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate (CID 101412878) is diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate.
What is the SMILES notation for diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate?
The canonical SMILES for diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate is C=C(C/C(=C\C(=O)OCC)[Si](C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate?
The InChIKey is KAIJFSDVASFPHV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-7-17-13(15)10-12(19(4,5)6)9-11(3)14(16)18-8-2/h10H,3,7-9H2,1-2,4-6H3/b12-10+.
What are the key properties of diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate?
diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate has a molecular weight of 284.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (E)-5-methylidene-3-trimethylsilylhex-2-enedioate is sourced from PubChem (CID 101412878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).