diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate

C19H34O6Si — CID 134943727

IUPACdiethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCCOC(=O)C(CC(C)=C=C[Si](C)(C)C)(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C19H34O6Si/c1-9-24-17(20)19(18(21)25-10-2,14-16(22-4)23-5)13-15(3)11-12-26(6,7)8/h12,16H,9-10,13-14H2,1-8H3
InChIKeyLEJJQDCLZOJLRI-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.48
Rot. Bonds11

About diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate

diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate (PubChem CID 134943727) has the molecular formula C19H34O6Si and a molecular weight of 386.56 g/mol. Its IUPAC name is diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate.

Molecular Properties

Compound Namediethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
PubChem CID134943727
Molecular FormulaC19H34O6Si
Molecular Weight386.56 g/mol
Exact Mass386.21
IUPAC Namediethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate
SMILESCCOC(=O)C(CC(C)=C=C[Si](C)(C)C)(CC(OC)OC)C(=O)OCC
InChIInChI=1S/C19H34O6Si/c1-9-24-17(20)19(18(21)25-10-2,14-16(22-4)23-5)13-15(3)11-12-26(6,7)8/h12,16H,9-10,13-14H2,1-8H3
InChIKeyLEJJQDCLZOJLRI-UHFFFAOYSA-N
XLogP3.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The IUPAC name of diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate (CID 134943727) is diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate.
What is the SMILES notation for diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The canonical SMILES for diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate is CCOC(=O)C(CC(C)=C=C[Si](C)(C)C)(CC(OC)OC)C(=O)OCC.
What is the InChIKey of diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
The InChIKey is LEJJQDCLZOJLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O6Si/c1-9-24-17(20)19(18(21)25-10-2,14-16(22-4)23-5)13-15(3)11-12-26(6,7)8/h12,16H,9-10,13-14H2,1-8H3.
What are the key properties of diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate?
diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate has a molecular weight of 386.56 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2,2-dimethoxyethyl)-2-(2-methyl-4-trimethylsilylbuta-2,3-dienyl)propanedioate is sourced from PubChem (CID 134943727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).