[(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane

C22H34O4Si — CID 11200139

About [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane

[(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11200139) has the molecular formula C22H34O4Si and a molecular weight of 390.60 g/mol. Its IUPAC name is [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane
• PubChem CID: 11200139
• Molecular Formula: C22H34O4Si
• Molecular Weight: 390.60 g/mol
• Exact Mass: 390.22
• IUPAC Name: [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane
• SMILES: CO/C=C\[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1Oc1c(OC)cccc12
• InChI: InChI=1S/C22H34O4Si/c1-21(2,3)27(6,7)26-16-11-12-22(13-14-23-4)17-9-8-10-18(24-5)20(17)25-19(22)15-16/h8-10,13-14,16,19H,11-12,15H2,1-7H3/b14-13-/t16-,19-,22+/m0/s1
• InChIKey: CKFYHXGGECUQDM-MLEHHCMYSA-N
• XLogP: 5.43
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.60
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane?

The IUPAC name of [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane (CID 11200139) is [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane?

The canonical SMILES for [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane is CO/C=C\[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1Oc1c(OC)cccc12.

What is the InChIKey of [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane?

The InChIKey is CKFYHXGGECUQDM-MLEHHCMYSA-N. The full InChI is InChI=1S/C22H34O4Si/c1-21(2,3)27(6,7)26-16-11-12-22(13-14-23-4)17-9-8-10-18(24-5)20(17)25-19(22)15-16/h8-10,13-14,16,19H,11-12,15H2,1-7H3/b14-13-/t16-,19-,22+/m0/s1.

What are the key properties of [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane?

[(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 390.60 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4aS,9bR)-6-methoxy-9b-[(Z)-2-methoxyethenyl]-2,3,4,4a-tetrahydro-1H-dibenzofuran-3-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11200139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).