tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane

C21H42O2Si2 — CID 85362869

IUPACtert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C2C=CC(C2)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-14-18-16-11-12-17(13-16)19(18)15-23-25(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3
InChIKeySQCYHCCJSARFHG-UHFFFAOYSA-N
MW382.74 g/mol
LogP6.47
Rot. Bonds6

About tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane

tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane (PubChem CID 85362869) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
PubChem CID85362869
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1C2C=CC(C2)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-14-18-16-11-12-17(13-16)19(18)15-23-25(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3
InChIKeySQCYHCCJSARFHG-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.47
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'}

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Related Compounds

tert-butyl-[[(1R,2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane
CID 11003486
5-(Trimethylsiloxymethyl)norbornene
CID 14197921
5,6-Bis(pentoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 101391568
[Tricyclo[4.2.1.0(2,5)]nona-3,7-diene-3,4-diylbis(oxy)]bis(trimethylsilane)
CID 13321235
tert-butyl-[[(1R,2S,3R,6S,7R,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 10894797
5-(Triethylsiloxymethyl)norbornene
CID 85778197
tert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
CID 100920342
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073
Tri(propan-2-yl)-[[3-[tri(propan-2-yl)silyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
CID 162415650
[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 11246945
1-(2-Bicyclo[2.2.1]hept-5-enyl)ethenoxy-trimethylsilane
CID 14017416
Trimethyl-[[3-(trimethylsilyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]silane
CID 14336950

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane (CID 85362869) is tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1C2C=CC(C2)C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?
The InChIKey is SQCYHCCJSARFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-20(2,3)24(7,8)22-14-18-16-11-12-17(13-16)19(18)15-23-25(9,10)21(4,5)6/h11-12,16-19H,13-15H2,1-10H3.
What are the key properties of tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane?
tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methoxy]-dimethylsilane is sourced from PubChem (CID 85362869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).