11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane

C20H25NOSi — CID 125363160

IUPAC11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)Nc1ccccc1C=C2
InChIInChI=1S/C20H25NOSi/c1-20(2,3)23(4,5)22-17-13-12-16-11-10-15-8-6-7-9-18(15)21-19(16)14-17/h6-14,21H,1-5H3
InChIKeyWDOGPXQTPMANBM-UHFFFAOYSA-N
MW323.51 g/mol
LogP6.30
Rot. Bonds2

About 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane

11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 125363160) has the molecular formula C20H25NOSi and a molecular weight of 323.51 g/mol. Its IUPAC name is 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane
PubChem CID125363160
Molecular FormulaC20H25NOSi
Molecular Weight323.51 g/mol
Exact Mass323.17
IUPAC Name11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2c(c1)Nc1ccccc1C=C2
InChIInChI=1S/C20H25NOSi/c1-20(2,3)23(4,5)22-17-13-12-16-11-10-15-8-6-7-9-18(15)21-19(16)14-17/h6-14,21H,1-5H3
InChIKeyWDOGPXQTPMANBM-UHFFFAOYSA-N
XLogP6.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.51
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane (CID 125363160) is 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)Nc1ccccc1C=C2.
What is the InChIKey of 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is WDOGPXQTPMANBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOSi/c1-20(2,3)23(4,5)22-17-13-12-16-11-10-15-8-6-7-9-18(15)21-19(16)14-17/h6-14,21H,1-5H3.
What are the key properties of 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane?
11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 323.51 g/mol, XLogP of 6.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[b][1]benzazepin-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 125363160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).