[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane

C16H32O3Si — CID 88814215

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
SMILESCCO[Si](C/C=C(\C)CCC=C(C)C)(OCC)OCC
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)14-13-16(6)12-10-11-15(4)5/h11,13H,7-10,12,14H2,1-6H3/b16-13+
InChIKeyKWCVEPCFRDHDDY-DTQAZKPQSA-N
MW300.51 g/mol
LogP4.73
Rot. Bonds11

About [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane

[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane (PubChem CID 88814215) has the molecular formula C16H32O3Si and a molecular weight of 300.51 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
PubChem CID88814215
Molecular FormulaC16H32O3Si
Molecular Weight300.51 g/mol
Exact Mass300.21
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane
SMILESCCO[Si](C/C=C(\C)CCC=C(C)C)(OCC)OCC
InChIInChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)14-13-16(6)12-10-11-15(4)5/h11,13H,7-10,12,14H2,1-6H3/b16-13+
InChIKeyKWCVEPCFRDHDDY-DTQAZKPQSA-N
XLogP4.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane (CID 88814215) is [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane is CCO[Si](C/C=C(\C)CCC=C(C)C)(OCC)OCC.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane?
The InChIKey is KWCVEPCFRDHDDY-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-17-20(18-8-2,19-9-3)14-13-16(6)12-10-11-15(4)5/h11,13H,7-10,12,14H2,1-6H3/b16-13+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane?
[(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane has a molecular weight of 300.51 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl]-triethoxysilane is sourced from PubChem (CID 88814215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).