tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane

C16H32O2Si — CID 102225707

IUPACtert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane
SMILESCCCC/C=C/C=C(\OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-10-11-12-13-14-15(17-9-2)18-19(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/b13-12+,15-14+
InChIKeySBMNEVFVWXMILF-SQIWNDBBSA-N
MW284.52 g/mol
LogP5.63
Rot. Bonds8

About tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane

tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane (PubChem CID 102225707) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane
PubChem CID102225707
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane
SMILESCCCC/C=C/C=C(\OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-10-11-12-13-14-15(17-9-2)18-19(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/b13-12+,15-14+
InChIKeySBMNEVFVWXMILF-SQIWNDBBSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane (CID 102225707) is tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane is CCCC/C=C/C=C(\OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane?
The InChIKey is SBMNEVFVWXMILF-SQIWNDBBSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-10-11-12-13-14-15(17-9-2)18-19(6,7)16(3,4)5/h12-14H,8-11H2,1-7H3/b13-12+,15-14+.
What are the key properties of tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane?
tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 5.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1E,3E)-1-ethoxyocta-1,3-dienoxy]-dimethylsilane is sourced from PubChem (CID 102225707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).