(9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane

C23H37NO3Si2 — CID 6426553

IUPAC(9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane
SMILESCOc1ccc2c3c1OC1C(O[Si](C)(C)C)CCC4C(C2)N([Si](C)(C)C)CCC341
InChIInChI=1S/C23H37NO3Si2/c1-25-18-10-8-15-14-17-16-9-11-19(27-29(5,6)7)22-23(16,20(15)21(18)26-22)12-13-24(17)28(2,3)4/h8,10,16-17,19,22H,9,11-14H2,1-7H3
InChIKeyYLSJDZOJIPKGOM-UHFFFAOYSA-N
MW431.73 g/mol
LogP4.79
Rot. Bonds4

About (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane

(9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane (PubChem CID 6426553) has the molecular formula C23H37NO3Si2 and a molecular weight of 431.73 g/mol. Its IUPAC name is (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane
PubChem CID6426553
Molecular FormulaC23H37NO3Si2
Molecular Weight431.73 g/mol
Exact Mass431.23
IUPAC Name(9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane
SMILESCOc1ccc2c3c1OC1C(O[Si](C)(C)C)CCC4C(C2)N([Si](C)(C)C)CCC341
InChIInChI=1S/C23H37NO3Si2/c1-25-18-10-8-15-14-17-16-9-11-19(27-29(5,6)7)22-23(16,20(15)21(18)26-22)12-13-24(17)28(2,3)4/h8,10,16-17,19,22H,9,11-14H2,1-7H3
InChIKeyYLSJDZOJIPKGOM-UHFFFAOYSA-N
XLogP4.79
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.73
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 169451473
(4S,4aS,7S,12bR)-3-(cyclopropylmethyl)-9-methoxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 70809140
(4R,4aR,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-methoxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CID 10382698
(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;acetic acid
CID 20833307
[(4R,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] pyridine-3-carboxylate
CID 10341286
(4R,7R,7aR,12bS)-7-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
CID 169442799
(4S,7aS)-7-fluoro-9-methoxy-3-prop-2-enyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 138720461
(4S,4aS,7S,7aS,12bR)-7-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol
CID 154193357
(4S,7aS,12bR)-3-(1-cyclopropylethyl)-7-fluoro-9-methoxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 138720456
(4S,7aS,12bR)-7-fluoro-9-methoxy-3-(1-phenylpropan-2-yl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 138720033
2-[[(4S,4aS,7aS,12bR)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]ethanol
CID 126538600
(4S,7aS,12bR)-7-fluoro-9-methoxy-3-phenylsulfanyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
CID 163475092

Frequently Asked Questions

What is the IUPAC name of (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane?
The IUPAC name of (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane (CID 6426553) is (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane.
What is the SMILES notation for (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane?
The canonical SMILES for (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane is COc1ccc2c3c1OC1C(O[Si](C)(C)C)CCC4C(C2)N([Si](C)(C)C)CCC341.
What is the InChIKey of (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane?
The InChIKey is YLSJDZOJIPKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO3Si2/c1-25-18-10-8-15-14-17-16-9-11-19(27-29(5,6)7)22-23(16,20(15)21(18)26-22)12-13-24(17)28(2,3)4/h8,10,16-17,19,22H,9,11-14H2,1-7H3.
What are the key properties of (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane?
(9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane has a molecular weight of 431.73 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methoxy-3-trimethylsilyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy-trimethylsilane is sourced from PubChem (CID 6426553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).