tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane

C30H34O3Si — CID 59638511

IUPACtert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@]12C=C[C@H](CO1)[C@H]2OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34O3Si/c1-29(2,3)34(26-15-9-5-10-16-26,27-17-11-6-12-18-27)33-23-30-20-19-25(22-32-30)28(30)31-21-24-13-7-4-8-14-24/h4-20,25,28H,21-23H2,1-3H3/t25-,28-,30+/m1/s1
InChIKeyZNGDRZZGSWKAQN-CZMKHNCBSA-N
MW470.69 g/mol
LogP5.10
Rot. Bonds8

About tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane

tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane (PubChem CID 59638511) has the molecular formula C30H34O3Si and a molecular weight of 470.69 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane
PubChem CID59638511
Molecular FormulaC30H34O3Si
Molecular Weight470.69 g/mol
Exact Mass470.23
IUPAC Nametert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@]12C=C[C@H](CO1)[C@H]2OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34O3Si/c1-29(2,3)34(26-15-9-5-10-16-26,27-17-11-6-12-18-27)33-23-30-20-19-25(22-32-30)28(30)31-21-24-13-7-4-8-14-24/h4-20,25,28H,21-23H2,1-3H3/t25-,28-,30+/m1/s1
InChIKeyZNGDRZZGSWKAQN-CZMKHNCBSA-N
XLogP5.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.69
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 102489458
(1R)-1-[(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 10077716
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468
[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 42624752
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
benzyl N-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methyl]carbamate
CID 68527039
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
tert-butyl-[[(8R,9R)-8-methoxy-1,4-dioxaspiro[4.4]non-6-en-9-yl]methoxy]-diphenylsilane
CID 102574885
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(2S,3R,4S,5S)-2-acetyloxy-5-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 132519314

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane (CID 59638511) is tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane is CC(C)(C)[Si](OC[C@]12C=C[C@H](CO1)[C@H]2OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane?
The InChIKey is ZNGDRZZGSWKAQN-CZMKHNCBSA-N. The full InChI is InChI=1S/C30H34O3Si/c1-29(2,3)34(26-15-9-5-10-16-26,27-17-11-6-12-18-27)33-23-30-20-19-25(22-32-30)28(30)31-21-24-13-7-4-8-14-24/h4-20,25,28H,21-23H2,1-3H3/t25-,28-,30+/m1/s1.
What are the key properties of tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane?
tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane has a molecular weight of 470.69 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(1S,4R,7R)-7-phenylmethoxy-2-oxabicyclo[2.2.1]hept-5-en-1-yl]methoxy]silane is sourced from PubChem (CID 59638511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).