3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile

C29H32N2OSi — CID 140887396

IUPAC3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile
SMILESN#CC1CCCCCCC(C=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C29H32N2OSi/c30-23-25-14-6-1-2-7-15-26(22-25)24-31-32-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h3-5,8-13,16-21,24-26H,1-2,6-7,14-15,22H2
InChIKeyCALARFBUEFCNGM-UHFFFAOYSA-N
MW452.67 g/mol
LogP5.16
Rot. Bonds6

About 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile

3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile (PubChem CID 140887396) has the molecular formula C29H32N2OSi and a molecular weight of 452.67 g/mol. Its IUPAC name is 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile.

Molecular Properties

Compound Name3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile
PubChem CID140887396
Molecular FormulaC29H32N2OSi
Molecular Weight452.67 g/mol
Exact Mass452.23
IUPAC Name3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile
SMILESN#CC1CCCCCCC(C=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C29H32N2OSi/c30-23-25-14-6-1-2-7-15-26(22-25)24-31-32-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h3-5,8-13,16-21,24-26H,1-2,6-7,14-15,22H2
InChIKeyCALARFBUEFCNGM-UHFFFAOYSA-N
XLogP5.16
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.67
LogP ≤ 55.16
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 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile?
The IUPAC name of 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile (CID 140887396) is 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile.
What is the SMILES notation for 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile?
The canonical SMILES for 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile is N#CC1CCCCCCC(C=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile?
The InChIKey is CALARFBUEFCNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2OSi/c30-23-25-14-6-1-2-7-15-26(22-25)24-31-32-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h3-5,8-13,16-21,24-26H,1-2,6-7,14-15,22H2.
What are the key properties of 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile?
3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile has a molecular weight of 452.67 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triphenylsilyloxyiminomethyl)cyclononane-1-carbonitrile is sourced from PubChem (CID 140887396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).