tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane

C32H50O3Si2 — CID 10602504

IUPACtert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC(/C=C\CC[Si](C)(C)C)CCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H50O3Si2/c1-32(2,3)37(29-20-9-7-10-21-29,30-22-11-8-12-23-30)35-28(18-14-16-27-36(4,5)6)19-17-26-34-31-24-13-15-25-33-31/h7-12,14,18,20-23,28,31H,13,15-17,19,24-27H2,1-6H3/b18-14-
InChIKeyPSGIXQTWSGTOCL-JXAWBTAJSA-N
MW538.92 g/mol
LogP7.54
Rot. Bonds13

About tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane

tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane (PubChem CID 10602504) has the molecular formula C32H50O3Si2 and a molecular weight of 538.92 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
PubChem CID10602504
Molecular FormulaC32H50O3Si2
Molecular Weight538.92 g/mol
Exact Mass538.33
IUPAC Nametert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane
SMILESCC(C)(C)[Si](OC(/C=C\CC[Si](C)(C)C)CCCOC1CCCCO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H50O3Si2/c1-32(2,3)37(29-20-9-7-10-21-29,30-22-11-8-12-23-30)35-28(18-14-16-27-36(4,5)6)19-17-26-34-31-24-13-15-25-33-31/h7-12,14,18,20-23,28,31H,13,15-17,19,24-27H2,1-6H3/b18-14-
InChIKeyPSGIXQTWSGTOCL-JXAWBTAJSA-N
XLogP7.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.92
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(E,3R)-5-(oxan-2-yloxy)-1-phenylpent-1-en-3-yl]oxysilane
CID 101421937
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
methyl (2E,6S,7Z)-6-[tert-butyl(diphenyl)silyl]oxy-10-trimethylsilyldeca-2,7-dienoate
CID 11145634
tert-butyl-[[(1R,2S)-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopropyl]methoxy]-diphenylsilane
CID 166561282
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
tert-butyl-[(6S,7E,9E,12E)-17-[tert-butyl(dimethyl)silyl]oxyheptadeca-7,9,12-trien-6-yl]oxy-diphenylsilane
CID 102494449
(E)-4-[tert-butyl(diphenyl)silyl]oxyhept-2-ene-1,7-diol
CID 177462583
tert-butyl-[(1R,2R,3E,5E,7R)-7-methoxy-2-(methoxymethoxy)-6-methyl-11-(oxan-2-yloxy)-1-phenylundeca-3,5-dienoxy]-dimethylsilane
CID 135026628
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
11-(oxan-2-yloxy)undec-4-enyl-triphenylphosphanium iodide
CID 175312543
6-(oxan-2-yloxy)-2-phenylselanylhexanal
CID 15725666
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane (CID 10602504) is tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane is CC(C)(C)[Si](OC(/C=C\CC[Si](C)(C)C)CCCOC1CCCCO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane?
The InChIKey is PSGIXQTWSGTOCL-JXAWBTAJSA-N. The full InChI is InChI=1S/C32H50O3Si2/c1-32(2,3)37(29-20-9-7-10-21-29,30-22-11-8-12-23-30)35-28(18-14-16-27-36(4,5)6)19-17-26-34-31-24-13-15-25-33-31/h7-12,14,18,20-23,28,31H,13,15-17,19,24-27H2,1-6H3/b18-14-.
What are the key properties of tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane?
tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane has a molecular weight of 538.92 g/mol, XLogP of 7.54, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-(oxan-2-yloxy)-8-trimethylsilyloct-5-en-4-yl]oxy-diphenylsilane is sourced from PubChem (CID 10602504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).