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

C23H42O2Si2 — CID 100920342

IUPACtert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(O[Si](C)(C)C(C)(C)C)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C23H42O2Si2/c1-22(2,3)26(7,8)24-18-13-14-19(25-27(9,10)23(4,5)6)21-17-12-11-16(15-17)20(18)21/h11-14,16-21H,15H2,1-10H3/t16-,17+,18?,19?,20?,21?
InChIKeyLIPINSGDVRESNC-MVRBQVPQSA-N
MW406.76 g/mol
LogP6.78
Rot. Bonds4

About 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

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 (PubChem CID 100920342) has the molecular formula C23H42O2Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
PubChem CID100920342
Molecular FormulaC23H42O2Si2
Molecular Weight406.76 g/mol
Exact Mass406.27
IUPAC Nametert-butyl-[[(1R,3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=CC(O[Si](C)(C)C(C)(C)C)C2C1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C23H42O2Si2/c1-22(2,3)26(7,8)24-18-13-14-19(25-27(9,10)23(4,5)6)21-17-12-11-16(15-17)20(18)21/h11-14,16-21H,15H2,1-10H3/t16-,17+,18?,19?,20?,21?
InChIKeyLIPINSGDVRESNC-MVRBQVPQSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 56.78
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
5,6-Bis((t-butyldimethylsiloxy)methyl)-2-norbornene
CID 85362869
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
4-[(1R,2S,3S,3aR,4S,5R,7aS)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-ethenyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]butan-2-yloxy-tert-butyl-dimethylsilane
CID 134872600
(1S,2S,3S,6R,7R,8R)-11-trimethylsilyltricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-diol
CID 134969067
[(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
CID 178270072
CID 178270072
tert-butyl-[(2S)-2-[(1S,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohept-3-en-1-yl]propoxy]-dimethylsilane
CID 10764190
[(2S,3aS,4R,7aS)-2-ethenyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]oxy-tert-butyl-dimethylsilane
CID 11780869
[(E)-3-[(1S,2R,3S,4R)-4-ethenyl-2,3-bis(trimethylsilyloxymethyl)cyclopentyl]prop-2-enyl]-trimethylsilane
CID 11246945
[(1R,4S)-4-[(2R)-2-[(1R,7aR)-4-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]propyl]-1-methylcyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 57055496

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)OC1C=CC(O[Si](C)(C)C(C)(C)C)C2C1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of 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?
The InChIKey is LIPINSGDVRESNC-MVRBQVPQSA-N. The full InChI is InChI=1S/C23H42O2Si2/c1-22(2,3)26(7,8)24-18-13-14-19(25-27(9,10)23(4,5)6)21-17-12-11-16(15-17)20(18)21/h11-14,16-21H,15H2,1-10H3/t16-,17+,18?,19?,20?,21?.
What are the key properties of 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?
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 has a molecular weight of 406.76 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 100920342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).