tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane

C25H34O4Si — CID 59483040

IUPACtert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCOC1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]1[C@@H]2OC
InChIInChI=1S/C25H34O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)28-18-25-17-16-21(22(25)26-4)23(27-5)29-25/h6-15,21-23H,16-18H2,1-5H3/t21-,22+,23?,25-/m1/s1
InChIKeyRWOUWOFFSBJSFF-KMBIXFLUSA-N
MW426.63 g/mol
LogP3.73
Rot. Bonds7

About tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane

tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (PubChem CID 59483040) has the molecular formula C25H34O4Si and a molecular weight of 426.63 g/mol. Its IUPAC name is tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
PubChem CID59483040
Molecular FormulaC25H34O4Si
Molecular Weight426.63 g/mol
Exact Mass426.22
IUPAC Nametert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
SMILESCOC1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]1[C@@H]2OC
InChIInChI=1S/C25H34O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)28-18-25-17-16-21(22(25)26-4)23(27-5)29-25/h6-15,21-23H,16-18H2,1-5H3/t21-,22+,23?,25-/m1/s1
InChIKeyRWOUWOFFSBJSFF-KMBIXFLUSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
tert-butyl-[[(1R,4R,7S)-6-fluoro-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
CID 59483051
tert-butyl-[[(1R,4R,7S)-6,6-difluoro-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
CID 59483115
CID 59483178
CID 59483178
[(3aR,5R,6S,6aR)-5-(1-fluoroprop-2-enyl)-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 59483207
tert-butyl-[[(1R,4R,7S)-5,5-difluoro-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
CID 59483259
CID 88971236
CID 88971236
(3aS,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 14018428
tert-butyl-[[(2R,4S,5S,8S,9R)-9-ethenyl-8-(methoxymethoxymethyl)-4,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl]methoxy]-diphenylsilane
CID 11706330
(3aS,4S,6S,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 53253957
[(3aR,4R,5S,6aS)-4-[(2-methylpropan-2-yl)oxy]-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 53253959
(5R,8R,10R)-10-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-8-[(2S)-5-methoxy-2-methyloxolan-2-yl]-1,3,9-trioxaspiro[4.5]decan-2-one
CID 53360794

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane (CID 59483040) is tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is COC1O[C@@]2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]1[C@@H]2OC.
What is the InChIKey of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
The InChIKey is RWOUWOFFSBJSFF-KMBIXFLUSA-N. The full InChI is InChI=1S/C25H34O4Si/c1-24(2,3)30(19-12-8-6-9-13-19,20-14-10-7-11-15-20)28-18-25-17-16-21(22(25)26-4)23(27-5)29-25/h6-15,21-23H,16-18H2,1-5H3/t21-,22+,23?,25-/m1/s1.
What are the key properties of tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane?
tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane has a molecular weight of 426.63 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R,4R,7S)-3,7-dimethoxy-2-oxabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 59483040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).