2-propyl-5-triphenylsilyloxyiminohexanenitrile

C27H30N2OSi — CID 140887488

IUPAC2-propyl-5-triphenylsilyloxyiminohexanenitrile
SMILESCCCC(C#N)CCC(C)=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2OSi/c1-3-13-24(22-28)21-20-23(2)29-30-31(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27/h4-12,14-19,24H,3,13,20-21H2,1-2H3
InChIKeyNCQLQVVURNPKBI-UHFFFAOYSA-N
MW426.64 g/mol
LogP4.77
Rot. Bonds10

About 2-propyl-5-triphenylsilyloxyiminohexanenitrile

2-propyl-5-triphenylsilyloxyiminohexanenitrile (PubChem CID 140887488) has the molecular formula C27H30N2OSi and a molecular weight of 426.64 g/mol. Its IUPAC name is 2-propyl-5-triphenylsilyloxyiminohexanenitrile.

Molecular Properties

Compound Name2-propyl-5-triphenylsilyloxyiminohexanenitrile
PubChem CID140887488
Molecular FormulaC27H30N2OSi
Molecular Weight426.64 g/mol
Exact Mass426.21
IUPAC Name2-propyl-5-triphenylsilyloxyiminohexanenitrile
SMILESCCCC(C#N)CCC(C)=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2OSi/c1-3-13-24(22-28)21-20-23(2)29-30-31(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27/h4-12,14-19,24H,3,13,20-21H2,1-2H3
InChIKeyNCQLQVVURNPKBI-UHFFFAOYSA-N
XLogP4.77
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 54.77
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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Related Compounds

5-phenylmethoxyimino-2-propylhexanenitrile
CID 140887382
2-ethyl-3-triphenylsilyloxyiminobutanenitrile
CID 140887497
(E)-N-triphenylsilyloxybutan-2-imine
CID 87078861
2-propyl-5-trimethylsilyloxyiminoheptanenitrile
CID 140887599
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 87328834
2-N,3-N-bis(triphenylsilyloxy)hexane-2,3-diimine
CID 154048216
(5E)-5-triphenylsilyloxyiminohexan-3-one
CID 88531904
(4-cyanoheptan-2-ylideneamino) benzenesulfonate
CID 140887426
1-phenyl-2-N,4-N-bis(triphenylsilyloxy)pentane-2,4-diimine
CID 87327816
[(E)-6-cyanononan-3-ylideneamino] acetate
CID 118511280
2-cyanopentyl benzoate
CID 123568699
2-methyl-3-triphenylsilyloxyiminopropanenitrile
CID 140887362

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-triphenylsilyloxyiminohexanenitrile?
The IUPAC name of 2-propyl-5-triphenylsilyloxyiminohexanenitrile (CID 140887488) is 2-propyl-5-triphenylsilyloxyiminohexanenitrile.
What is the SMILES notation for 2-propyl-5-triphenylsilyloxyiminohexanenitrile?
The canonical SMILES for 2-propyl-5-triphenylsilyloxyiminohexanenitrile is CCCC(C#N)CCC(C)=NO[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-propyl-5-triphenylsilyloxyiminohexanenitrile?
The InChIKey is NCQLQVVURNPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2OSi/c1-3-13-24(22-28)21-20-23(2)29-30-31(25-14-7-4-8-15-25,26-16-9-5-10-17-26)27-18-11-6-12-19-27/h4-12,14-19,24H,3,13,20-21H2,1-2H3.
What are the key properties of 2-propyl-5-triphenylsilyloxyiminohexanenitrile?
2-propyl-5-triphenylsilyloxyiminohexanenitrile has a molecular weight of 426.64 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-triphenylsilyloxyiminohexanenitrile is sourced from PubChem (CID 140887488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).