tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane

C15H21ClN2O3Si — CID 23529504

IUPACtert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1[nH]c2ccc([N+](=O)[O-])cc2c1Cl
InChIInChI=1S/C15H21ClN2O3Si/c1-15(2,3)22(4,5)21-9-13-14(16)11-8-10(18(19)20)6-7-12(11)17-13/h6-8,17H,9H2,1-5H3
InChIKeyFCQLSOMOYLCPKD-UHFFFAOYSA-N
MW340.88 g/mol
LogP5.25
Rot. Bonds4

About tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane

tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane (PubChem CID 23529504) has the molecular formula C15H21ClN2O3Si and a molecular weight of 340.88 g/mol. Its IUPAC name is tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane
PubChem CID23529504
Molecular FormulaC15H21ClN2O3Si
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC Nametert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1[nH]c2ccc([N+](=O)[O-])cc2c1Cl
InChIInChI=1S/C15H21ClN2O3Si/c1-15(2,3)22(4,5)21-9-13-14(16)11-8-10(18(19)20)6-7-12(11)17-13/h6-8,17H,9H2,1-5H3
InChIKeyFCQLSOMOYLCPKD-UHFFFAOYSA-N
XLogP5.25
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.88
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

tert-butyl-[(2-iodo-4-nitrophenyl)methoxy]-dimethylsilane
CID 162768339
[2-(2-bromoethyl)-4-nitrophenyl]methoxy-tert-butyl-dimethylsilane
CID 167525353
tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
tert-butyl-dimethyl-[[1-(4-nitrophenyl)imidazol-2-yl]methoxy]silane
CID 169013499
3-methyl-6-nitro-9H-carbazole
CID 58160212
1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-nitrobenzene-1,2-diamine
CID 168827188
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
tert-butyl-dimethyl-[(2-nitro-5-propoxyphenyl)methoxy]silane
CID 171727294
tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
CID 67645513
CID 67645513

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane (CID 23529504) is tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1[nH]c2ccc([N+](=O)[O-])cc2c1Cl.
What is the InChIKey of tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane?
The InChIKey is FCQLSOMOYLCPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3Si/c1-15(2,3)22(4,5)21-9-13-14(16)11-8-10(18(19)20)6-7-12(11)17-13/h6-8,17H,9H2,1-5H3.
What are the key properties of tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane?
tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane has a molecular weight of 340.88 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3-chloro-5-nitro-1H-indol-2-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 23529504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).