4-(1,1,2-triethylsilinan-2-yl)butanenitrile

C15H29NSi — CID 174880096

IUPAC4-(1,1,2-triethylsilinan-2-yl)butanenitrile
SMILESCCC1(CCCC#N)CCCC[Si]1(CC)CC
InChIInChI=1S/C15H29NSi/c1-4-15(11-7-9-13-16)12-8-10-14-17(15,5-2)6-3/h4-12,14H2,1-3H3
InChIKeyUUPRFTTWGGVCTI-UHFFFAOYSA-N
MW251.49 g/mol
LogP5.50
Rot. Bonds6

About 4-(1,1,2-triethylsilinan-2-yl)butanenitrile

4-(1,1,2-triethylsilinan-2-yl)butanenitrile (PubChem CID 174880096) has the molecular formula C15H29NSi and a molecular weight of 251.49 g/mol. Its IUPAC name is 4-(1,1,2-triethylsilinan-2-yl)butanenitrile.

Molecular Properties

Compound Name4-(1,1,2-triethylsilinan-2-yl)butanenitrile
PubChem CID174880096
Molecular FormulaC15H29NSi
Molecular Weight251.49 g/mol
Exact Mass251.21
IUPAC Name4-(1,1,2-triethylsilinan-2-yl)butanenitrile
SMILESCCC1(CCCC#N)CCCC[Si]1(CC)CC
InChIInChI=1S/C15H29NSi/c1-4-15(11-7-9-13-16)12-8-10-14-17(15,5-2)6-3/h4-12,14H2,1-3H3
InChIKeyUUPRFTTWGGVCTI-UHFFFAOYSA-N
XLogP5.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2-triethyl-2-oct-2-enylsilinane
CID 174816391
7-[1-[1-(6-cyanohexyl)cyclohexadecyl]oxycyclohexadecyl]heptanenitrile
CID 67681122
3-(1-methylcyclobutyl)propanenitrile
CID 59843558
4-(2-methyloxasilinan-2-yl)butanenitrile
CID 70470748
1,1,2-triethyl-2-[(2-methylpropan-2-yl)oxy]silinane;hydrofluoride
CID 174752292
5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
2-butyl-2-[1-(2-butyl-1,1-dimethoxysilinan-2-yl)nonan-5-yl]-1,1-dimethoxysilinane
CID 140504035
3-(1-fluorocyclohexyl)propanenitrile
CID 84763610
1-ethylcyclopentane-1-carbonitrile
CID 12859571
3-[2-(2-cyanoethyl)-2-ethyl-1-methylcyclobutyl]propanenitrile
CID 70894274
trans-ethyl (1R,2S)-1-(2-cyanoethyl)-2-hydroxycyclohexane-1-carboxylate
CID 10922189
4-(3-fluoro-3-methylpyrrolidin-1-yl)butanenitrile
CID 131065294

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2-triethylsilinan-2-yl)butanenitrile?
The IUPAC name of 4-(1,1,2-triethylsilinan-2-yl)butanenitrile (CID 174880096) is 4-(1,1,2-triethylsilinan-2-yl)butanenitrile.
What is the SMILES notation for 4-(1,1,2-triethylsilinan-2-yl)butanenitrile?
The canonical SMILES for 4-(1,1,2-triethylsilinan-2-yl)butanenitrile is CCC1(CCCC#N)CCCC[Si]1(CC)CC.
What is the InChIKey of 4-(1,1,2-triethylsilinan-2-yl)butanenitrile?
The InChIKey is UUPRFTTWGGVCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NSi/c1-4-15(11-7-9-13-16)12-8-10-14-17(15,5-2)6-3/h4-12,14H2,1-3H3.
What are the key properties of 4-(1,1,2-triethylsilinan-2-yl)butanenitrile?
4-(1,1,2-triethylsilinan-2-yl)butanenitrile has a molecular weight of 251.49 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2-triethylsilinan-2-yl)butanenitrile is sourced from PubChem (CID 174880096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).