4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile

C20H27NOSi — CID 18354438

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile
SMILESCC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C20H27NOSi/c1-20(2,3)23(4,5)22-13-12-19(15-21)18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14,19H,12-13H2,1-5H3
InChIKeyHUCBDLYZDWUSHY-UHFFFAOYSA-N
MW325.53 g/mol
LogP5.86
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile

4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile (PubChem CID 18354438) has the molecular formula C20H27NOSi and a molecular weight of 325.53 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile
PubChem CID18354438
Molecular FormulaC20H27NOSi
Molecular Weight325.53 g/mol
Exact Mass325.19
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile
SMILESCC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc2ccccc2c1
InChIInChI=1S/C20H27NOSi/c1-20(2,3)23(4,5)22-13-12-19(15-21)18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14,19H,12-13H2,1-5H3
InChIKeyHUCBDLYZDWUSHY-UHFFFAOYSA-N
XLogP5.86
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-naphthalen-2-yloxybutanenitrile
CID 82137170
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135006991
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
tert-butyl-dimethyl-(2-phenylsulfanylethoxy)silane
CID 11346217
[5-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylpentan-2-yl] naphthalene-2-carboxylate
CID 153297014
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
tert-butyl-[4-(4-methoxyphenyl)-4-phenylsulfanylbutoxy]-dimethylsilane
CID 135029835
(1,2-dinaphthalen-2-yl-2-trimethylsilyloxyethoxy)-trimethylsilane
CID 10575884
N-[4-[tert-butyl(dimethyl)silyl]oxy-2-(3,4-dichlorophenyl)butyl]-3-cyano-2-hydroxynaphthalene-1-carboxamide
CID 23018608
2-[4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-yl]oxyethanol
CID 18790481

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile (CID 18354438) is 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile is CC(C)(C)[Si](C)(C)OCCC(C#N)c1ccc2ccccc2c1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile?
The InChIKey is HUCBDLYZDWUSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOSi/c1-20(2,3)23(4,5)22-13-12-19(15-21)18-11-10-16-8-6-7-9-17(16)14-18/h6-11,14,19H,12-13H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile?
4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile has a molecular weight of 325.53 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-naphthalen-2-ylbutanenitrile is sourced from PubChem (CID 18354438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).