trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane

C22H33NO3Si2 — CID 591319

IUPACtrimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane
SMILESC[Si](C)(C)Oc1ccc2c3c1OC1C(O[Si](C)(C)C)C=CC4C(C2)NCCC341
InChIInChI=1S/C22H33NO3Si2/c1-27(2,3)25-17-9-7-14-13-16-15-8-10-18(26-28(4,5)6)21-22(15,11-12-23-16)19(14)20(17)24-21/h7-10,15-16,18,21,23H,11-13H2,1-6H3
InChIKeyYKVXAFBDBPVFMP-UHFFFAOYSA-N
MW415.68 g/mol
LogP4.22
Rot. Bonds4

About trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane

trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane (PubChem CID 591319) has the molecular formula C22H33NO3Si2 and a molecular weight of 415.68 g/mol. Its IUPAC name is trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane.

Molecular Properties

Compound Nametrimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane
PubChem CID591319
Molecular FormulaC22H33NO3Si2
Molecular Weight415.68 g/mol
Exact Mass415.20
IUPAC Nametrimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane
SMILESC[Si](C)(C)Oc1ccc2c3c1OC1C(O[Si](C)(C)C)C=CC4C(C2)NCCC341
InChIInChI=1S/C22H33NO3Si2/c1-27(2,3)25-17-9-7-14-13-16-15-8-10-18(26-28(4,5)6)21-22(15,11-12-23-16)19(14)20(17)24-21/h7-10,15-16,18,21,23H,11-13H2,1-6H3
InChIKeyYKVXAFBDBPVFMP-UHFFFAOYSA-N
XLogP4.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.68
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane with MolForge

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Related Compounds

[(4R,4aR,12bS)-7-[tert-butyl(dimethyl)silyl]oxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-tert-butyl-dimethylsilane
CID 69414903
[(4R,4aR,12bS)-3-methyl-7-trimethylsilyloxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-trimethylsilane
CID 57362225
(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;iodomethane
CID 70348776
(4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrochloride
CID 21124389
(4R,7aS,12bS)-7-methyl-9-phosphoroso-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 162295280
(2S,3S,4S,5R)-6-[[(4R,4aR,7S,7aR,12bS)-9-ethoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 169444874
[(4R,4aS,7S,7aR,12bS)-7-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy-tert-butyl-dimethylsilane
CID 10951356
(1S,6R,14R)-9-methoxy-7-oxa-16-azapentacyclo[10.6.1.01,6.02,14.08,19]nonadeca-3,8,10,12(19)-tetraen-5-ol
CID 146488110
(4S,4aS,7R,7aS,12bR)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 134849194
(4aR,7S,7aR)-7,9-dimethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 90160032
(7aR,12bS)-7,9-dimethoxy-1,2,3,4,4a,5,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 118083842
7,9-dimethoxy-3-propyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 134926681

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane?
The IUPAC name of trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane (CID 591319) is trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane.
What is the SMILES notation for trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane?
The canonical SMILES for trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane is C[Si](C)(C)Oc1ccc2c3c1OC1C(O[Si](C)(C)C)C=CC4C(C2)NCCC341.
What is the InChIKey of trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane?
The InChIKey is YKVXAFBDBPVFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO3Si2/c1-27(2,3)25-17-9-7-14-13-16-15-8-10-18(26-28(4,5)6)21-22(15,11-12-23-16)19(14)20(17)24-21/h7-10,15-16,18,21,23H,11-13H2,1-6H3.
What are the key properties of trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane?
trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane has a molecular weight of 415.68 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(7-trimethylsilyloxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl)oxy]silane is sourced from PubChem (CID 591319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).