[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane

C17H32O2Si2 — CID 10687465

IUPAC[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane
SMILESCCOC(/C=C1\C=C([Si](C)(C)C)C=C1[Si](C)(C)C)OCC
InChIInChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)12-14-11-15(20(3,4)5)13-16(14)21(6,7)8/h11-13,17H,9-10H2,1-8H3/b14-12+
InChIKeySMAGLZJJCZMBIX-WYMLVPIESA-N
MW324.61 g/mol
LogP4.93
Rot. Bonds7

About [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane

[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane (PubChem CID 10687465) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane
PubChem CID10687465
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane
SMILESCCOC(/C=C1\C=C([Si](C)(C)C)C=C1[Si](C)(C)C)OCC
InChIInChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)12-14-11-15(20(3,4)5)13-16(14)21(6,7)8/h11-13,17H,9-10H2,1-8H3/b14-12+
InChIKeySMAGLZJJCZMBIX-WYMLVPIESA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1E,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 10805942
tert-butyl-[(3E,5Z)-5-(diethoxymethyl)-6-trimethylsilylhexa-3,5-dienoxy]-dimethylsilane
CID 100947825
[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 177451165

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane (CID 10687465) is [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane is CCOC(/C=C1\C=C([Si](C)(C)C)C=C1[Si](C)(C)C)OCC.
What is the InChIKey of [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane?
The InChIKey is SMAGLZJJCZMBIX-WYMLVPIESA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)12-14-11-15(20(3,4)5)13-16(14)21(6,7)8/h11-13,17H,9-10H2,1-8H3/b14-12+.
What are the key properties of [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane?
[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane has a molecular weight of 324.61 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 10687465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).