4-triphenylsilyloxyiminocyclooctane-1-carbonitrile

C27H28N2OSi — CID 140887636

IUPAC4-triphenylsilyloxyiminocyclooctane-1-carbonitrile
SMILESN#CC1CCCCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28N2OSi/c28-22-23-12-10-11-13-24(21-20-23)29-30-31(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,14-19,23H,10-13,20-21H2
InChIKeyURTJDFTYQBRLQM-UHFFFAOYSA-N
MW424.62 g/mol
LogP4.52
Rot. Bonds5

About 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile

4-triphenylsilyloxyiminocyclooctane-1-carbonitrile (PubChem CID 140887636) has the molecular formula C27H28N2OSi and a molecular weight of 424.62 g/mol. Its IUPAC name is 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile.

Molecular Properties

Compound Name4-triphenylsilyloxyiminocyclooctane-1-carbonitrile
PubChem CID140887636
Molecular FormulaC27H28N2OSi
Molecular Weight424.62 g/mol
Exact Mass424.20
IUPAC Name4-triphenylsilyloxyiminocyclooctane-1-carbonitrile
SMILESN#CC1CCCCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H28N2OSi/c28-22-23-12-10-11-13-24(21-20-23)29-30-31(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,14-19,23H,10-13,20-21H2
InChIKeyURTJDFTYQBRLQM-UHFFFAOYSA-N
XLogP4.52
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.62
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile?
The IUPAC name of 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile (CID 140887636) is 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile.
What is the SMILES notation for 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile?
The canonical SMILES for 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile is N#CC1CCCCC(=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile?
The InChIKey is URTJDFTYQBRLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OSi/c28-22-23-12-10-11-13-24(21-20-23)29-30-31(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-9,14-19,23H,10-13,20-21H2.
What are the key properties of 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile?
4-triphenylsilyloxyiminocyclooctane-1-carbonitrile has a molecular weight of 424.62 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triphenylsilyloxyiminocyclooctane-1-carbonitrile is sourced from PubChem (CID 140887636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).