tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane

C23H28O2Si — CID 71551467

IUPACtert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@]12C=C[C@](c3ccccc3)(O1)c1ccccc12
InChIInChI=1S/C23H28O2Si/c1-21(2,3)26(4,5)24-17-22-15-16-23(25-22,18-11-7-6-8-12-18)20-14-10-9-13-19(20)22/h6-16H,17H2,1-5H3/t22-,23+/m0/s1
InChIKeyYKXNRJZHRHFBTP-XZOQPEGZSA-N
MW364.56 g/mol
LogP5.75
Rot. Bonds4

About tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane

tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane (PubChem CID 71551467) has the molecular formula C23H28O2Si and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane
PubChem CID71551467
Molecular FormulaC23H28O2Si
Molecular Weight364.56 g/mol
Exact Mass364.19
IUPAC Nametert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane
SMILESCC(C)(C)[Si](C)(C)OC[C@]12C=C[C@](c3ccccc3)(O1)c1ccccc12
InChIInChI=1S/C23H28O2Si/c1-21(2,3)26(4,5)24-17-22-15-16-23(25-22,18-11-7-6-8-12-18)20-14-10-9-13-19(20)22/h6-16H,17H2,1-5H3/t22-,23+/m0/s1
InChIKeyYKXNRJZHRHFBTP-XZOQPEGZSA-N
XLogP5.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.75
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'}

Analyze tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(4,5-dibromo-8-methyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl)methoxy]-dimethylsilane
CID 102194821
tert-butyl-[[(2S,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methoxy]-dimethylsilane
CID 101364464
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-phenyloxolan-2-ol
CID 102285704
tert-butyl-[[(2S,5R,7S,10S)-1,11-diphenyl-18-oxapentacyclo[9.6.1.02,10.05,7.012,17]octadeca-12,14,16-trien-6-yl]methoxy]-dimethylsilane
CID 132937477
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(1R)-1-phenylethyl]azetidin-3-ol
CID 135019735
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(4-nitro-2-pyridinyl)-5-phenylimidazolidine-2,4-dione
CID 71503491
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
dimethyl (1R,8S,9S,10S)-1-[tert-butyl(dimethyl)silyl]oxy-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate
CID 138973205
tert-butyl-[[1-[(3-methoxyphenyl)methyl]-4-phenylpiperidin-4-yl]methoxy]-dimethylsilane
CID 20607368
cis-(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylcyclopropane-1-carbonitrile
CID 11781176
methyl (1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-diphenylcycloprop-2-ene-1-carboxylate
CID 102291630

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane (CID 71551467) is tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane is CC(C)(C)[Si](C)(C)OC[C@]12C=C[C@](c3ccccc3)(O1)c1ccccc12.
What is the InChIKey of tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane?
The InChIKey is YKXNRJZHRHFBTP-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H28O2Si/c1-21(2,3)26(4,5)24-17-22-15-16-23(25-22,18-11-7-6-8-12-18)20-14-10-9-13-19(20)22/h6-16H,17H2,1-5H3/t22-,23+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane?
tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane has a molecular weight of 364.56 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1R,8R)-8-phenyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraen-1-yl]methoxy]silane is sourced from PubChem (CID 71551467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).