[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane

C17H32O2Si2 — CID 10592101

IUPAC[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane
SMILESCCOC(/C=C/C=C(\C#C[Si](C)(C)C)[Si](C)(C)C)OCC
InChIInChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)13-11-12-16(21(6,7)8)14-15-20(3,4)5/h11-13,17H,9-10H2,1-8H3/b13-11+,16-12+
InChIKeyIRLWHIMMHQNNPY-PKRRCJCNSA-N
MW324.61 g/mol
LogP4.63
Rot. Bonds7

About [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane

[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane (PubChem CID 10592101) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane
PubChem CID10592101
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane
SMILESCCOC(/C=C/C=C(\C#C[Si](C)(C)C)[Si](C)(C)C)OCC
InChIInChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)13-11-12-16(21(6,7)8)14-15-20(3,4)5/h11-13,17H,9-10H2,1-8H3/b13-11+,16-12+
InChIKeyIRLWHIMMHQNNPY-PKRRCJCNSA-N
XLogP4.63
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 ≤ 54.63
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane?
The IUPAC name of [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane (CID 10592101) is [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane.
What is the SMILES notation for [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane?
The canonical SMILES for [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane is CCOC(/C=C/C=C(\C#C[Si](C)(C)C)[Si](C)(C)C)OCC.
What is the InChIKey of [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane?
The InChIKey is IRLWHIMMHQNNPY-PKRRCJCNSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)13-11-12-16(21(6,7)8)14-15-20(3,4)5/h11-13,17H,9-10H2,1-8H3/b13-11+,16-12+.
What are the key properties of [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane?
[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane has a molecular weight of 324.61 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane is sourced from PubChem (CID 10592101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).