tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane

C23H42O2Si2 — CID 134885223

IUPACtert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane
SMILESC=C/C(=C\CC/C(C)=C/C(=C=C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H42O2Si2/c1-13-21(24-26(8,9)10)16-14-15-20(4)18-22(17-19(2)3)25-27(11,12)23(5,6)7/h13,16,18H,1,14-15H2,2-12H3/b20-18+,21-16+
InChIKeyZUBZDPWOAKYOBM-JPJLSXHTSA-N
MW406.76 g/mol
LogP8.11
Rot. Bonds9

About tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane

tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane (PubChem CID 134885223) has the molecular formula C23H42O2Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane
PubChem CID134885223
Molecular FormulaC23H42O2Si2
Molecular Weight406.76 g/mol
Exact Mass406.27
IUPAC Nametert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane
SMILESC=C/C(=C\CC/C(C)=C/C(=C=C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C23H42O2Si2/c1-13-21(24-26(8,9)10)16-14-15-20(4)18-22(17-19(2)3)25-27(11,12)23(5,6)7/h13,16,18H,1,14-15H2,2-12H3/b20-18+,21-16+
InChIKeyZUBZDPWOAKYOBM-JPJLSXHTSA-N
XLogP8.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane (CID 134885223) is tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane is C=C/C(=C\CC/C(C)=C/C(=C=C(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane?
The InChIKey is ZUBZDPWOAKYOBM-JPJLSXHTSA-N. The full InChI is InChI=1S/C23H42O2Si2/c1-13-21(24-26(8,9)10)16-14-15-20(4)18-22(17-19(2)3)25-27(11,12)23(5,6)7/h13,16,18H,1,14-15H2,2-12H3/b20-18+,21-16+.
What are the key properties of tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane?
tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane has a molecular weight of 406.76 g/mol, XLogP of 8.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,6E)-3-methyl-1-(2-methylprop-1-enylidene)-7-trimethylsilyloxynona-2,6,8-trienoxy]silane is sourced from PubChem (CID 134885223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).