[(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane

C15H30OSi — CID 173469652

IUPAC[(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane
SMILESC/C=C(\C)C(CC/C=C/O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-13(2)14(15(3,4)5)11-9-10-12-16-17(6)7/h8,10,12,14,17H,9,11H2,1-7H3/b12-10+,13-8+
InChIKeyWPNHDJPDLIQDIZ-PJCPOQCISA-N
MW254.49 g/mol
LogP4.91
Rot. Bonds6

About [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane

[(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane (PubChem CID 173469652) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Name[(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane
PubChem CID173469652
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name[(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane
SMILESC/C=C(\C)C(CC/C=C/O[SiH](C)C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-13(2)14(15(3,4)5)11-9-10-12-16-17(6)7/h8,10,12,14,17H,9,11H2,1-7H3/b12-10+,13-8+
InChIKeyWPNHDJPDLIQDIZ-PJCPOQCISA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane?
The IUPAC name of [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane (CID 173469652) is [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane.
What is the SMILES notation for [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane?
The canonical SMILES for [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane is C/C=C(\C)C(CC/C=C/O[SiH](C)C)C(C)(C)C.
What is the InChIKey of [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane?
The InChIKey is WPNHDJPDLIQDIZ-PJCPOQCISA-N. The full InChI is InChI=1S/C15H30OSi/c1-8-13(2)14(15(3,4)5)11-9-10-12-16-17(6)7/h8,10,12,14,17H,9,11H2,1-7H3/b12-10+,13-8+.
What are the key properties of [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane?
[(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,6E)-5-tert-butyl-6-methylocta-1,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 173469652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).