tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane

C16H24N2O3Si — CID 69073629

IUPACtert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCn1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H24N2O3Si/c1-16(2,3)22(4,5)21-11-10-17-9-8-13-6-7-14(18(19)20)12-15(13)17/h6-9,12H,10-11H2,1-5H3
InChIKeyVNKJBGGECFLSLF-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.57
Rot. Bonds5

About tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane

tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane (PubChem CID 69073629) has the molecular formula C16H24N2O3Si and a molecular weight of 320.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
PubChem CID69073629
Molecular FormulaC16H24N2O3Si
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Nametert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCn1ccc2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C16H24N2O3Si/c1-16(2,3)22(4,5)21-11-10-17-9-8-13-6-7-14(18(19)20)12-15(13)17/h6-9,12H,10-11H2,1-5H3
InChIKeyVNKJBGGECFLSLF-UHFFFAOYSA-N
XLogP4.57
TPSA57.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethyl)-6-nitroindole
CID 116621040
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl]bismuthane
CID 150452773
1-(3-methylbutyl)-6-nitroindole
CID 116621059
2,2-dimethyl-5-(6-nitroindol-1-yl)pentanenitrile
CID 116621000
2,2-dimethyl-6-(6-nitroindol-1-yl)hexanenitrile
CID 106714558
N,N-dimethyl-3-(6-nitroindol-1-yl)propanamide
CID 116621018
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
CID 25232171
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indol-5-yl] acetate
CID 10496894
1-but-2-ynyl-6-nitroindole
CID 116620986
1-[(1-methylpyrazol-4-yl)methyl]-6-nitroindole
CID 116620956
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-nitro-1,4-benzoxazin-3-one
CID 58653174
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane (CID 69073629) is tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane is CC(C)(C)[Si](C)(C)OCCn1ccc2ccc([N+](=O)[O-])cc21.
What is the InChIKey of tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane?
The InChIKey is VNKJBGGECFLSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3Si/c1-16(2,3)22(4,5)21-11-10-17-9-8-13-6-7-14(18(19)20)12-15(13)17/h6-9,12H,10-11H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane?
tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane has a molecular weight of 320.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-(6-nitroindol-1-yl)ethoxy]silane is sourced from PubChem (CID 69073629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).