tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane

C28H36OSi — CID 11362057

IUPACtert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane
SMILESC#C/C(C)=C\[C@@H](C)C/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36OSi/c1-8-23(2)21-25(4)22-24(3)19-20-29-30(28(5,6)7,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h1,9-19,21,25H,20,22H2,2-7H3/b23-21-,24-19+/t25-/m1/s1
InChIKeyPSVOKKWLURFZLJ-WYEFSJPBSA-N
MW416.68 g/mol
LogP6.11
Rot. Bonds8

About tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane

tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane (PubChem CID 11362057) has the molecular formula C28H36OSi and a molecular weight of 416.68 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane
PubChem CID11362057
Molecular FormulaC28H36OSi
Molecular Weight416.68 g/mol
Exact Mass416.25
IUPAC Nametert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane
SMILESC#C/C(C)=C\[C@@H](C)C/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36OSi/c1-8-23(2)21-25(4)22-24(3)19-20-29-30(28(5,6)7,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h1,9-19,21,25H,20,22H2,2-7H3/b23-21-,24-19+/t25-/m1/s1
InChIKeyPSVOKKWLURFZLJ-WYEFSJPBSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.68
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
CID 134980373
tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane
CID 140737174
(E,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-enoic acid
CID 16726667
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane
CID 102380302
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
(E)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-6-methyl-2-methylideneoct-6-enenitrile
CID 10993491
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 25068244

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane (CID 11362057) is tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane is C#C/C(C)=C\[C@@H](C)C/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane?
The InChIKey is PSVOKKWLURFZLJ-WYEFSJPBSA-N. The full InChI is InChI=1S/C28H36OSi/c1-8-23(2)21-25(4)22-24(3)19-20-29-30(28(5,6)7,26-15-11-9-12-16-26)27-17-13-10-14-18-27/h1,9-19,21,25H,20,22H2,2-7H3/b23-21-,24-19+/t25-/m1/s1.
What are the key properties of tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane?
tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane has a molecular weight of 416.68 g/mol, XLogP of 6.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane is sourced from PubChem (CID 11362057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).