tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane

C26H36O2Si — CID 100941395

IUPACtert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
SMILESC/C(=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC[C@H]1OC1(C)C
InChIInChI=1S/C26H36O2Si/c1-21(17-18-24-26(5,6)28-24)19-20-27-29(25(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19,24H,17-18,20H2,1-6H3/b21-19+/t24-/m1/s1
InChIKeyLHGLXJUBCCJXJG-IVEWOJHHSA-N
MW408.66 g/mol
LogP5.47
Rot. Bonds8

About tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane

tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane (PubChem CID 100941395) has the molecular formula C26H36O2Si and a molecular weight of 408.66 g/mol. Its IUPAC name is tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
PubChem CID100941395
Molecular FormulaC26H36O2Si
Molecular Weight408.66 g/mol
Exact Mass408.25
IUPAC Nametert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
SMILESC/C(=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC[C@H]1OC1(C)C
InChIInChI=1S/C26H36O2Si/c1-21(17-18-24-26(5,6)28-24)19-20-27-29(25(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19,24H,17-18,20H2,1-6H3/b21-19+/t24-/m1/s1
InChIKeyLHGLXJUBCCJXJG-IVEWOJHHSA-N
XLogP5.47
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.66
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
(E,3S,4R)-9-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3R)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-3-(methoxymethoxy)-3,7-dimethylnon-7-en-4-ol
CID 11342122
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934
tert-butyl-[(Z)-3-methyl-5-[(1S,2R,7R,10S,11R,12S,14R)-2,6,6,10,12-pentamethyl-13-oxatetracyclo[8.5.0.02,7.012,14]pentadecan-11-yl]pent-2-enoxy]-diphenylsilane
CID 11050349
tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
CID 10624878
(E)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-6-methyl-2-methylideneoct-6-enenitrile
CID 10993491
bis(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;butan-2-one;tert-butyl-[(2Z,6Z)-8-chloro-3,7-dimethylocta-2,6-dienoxy]-diphenylsilane;tert-butyl-[(2Z,6Z)-3,7-dimethylnona-2,6-dienoxy]-diphenylsilane;tert-butyl-[(Z)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]-diphenylsilane;(2Z,6Z)-8-[tert-butyl(diphenyl)silyl]oxy-2,6-dimethylocta-2,6-dien-1-ol;tert-butyl-[(Z)-3-methylhept-2-enoxy]-diphenylsilane;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;methane;sulfanylidene-(sulfanylidene-λ4-sulfanylidene)-λ4-sulfane;sulfanylidene-[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 161476486
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] N-phenylcarbamate
CID 14889933

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane (CID 100941395) is tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane is C/C(=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC[C@H]1OC1(C)C.
What is the InChIKey of tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane?
The InChIKey is LHGLXJUBCCJXJG-IVEWOJHHSA-N. The full InChI is InChI=1S/C26H36O2Si/c1-21(17-18-24-26(5,6)28-24)19-20-27-29(25(2,3)4,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19,24H,17-18,20H2,1-6H3/b21-19+/t24-/m1/s1.
What are the key properties of tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane?
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane has a molecular weight of 408.66 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane is sourced from PubChem (CID 100941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).