tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane

C24H36N2O5Si2 — CID 18942791

IUPACtert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H36N2O5Si2/c1-23(2,3)32(7,8)21-15-17(25(27)28)11-13-19(21)31-20-14-12-18(26(29)30)16-22(20)33(9,10)24(4,5)6/h11-16H,1-10H3
InChIKeyRCQSCIAKPYYQKS-UHFFFAOYSA-N
MW488.73 g/mol
LogP6.73
Rot. Bonds6

About tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane

tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane (PubChem CID 18942791) has the molecular formula C24H36N2O5Si2 and a molecular weight of 488.73 g/mol. Its IUPAC name is tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane
PubChem CID18942791
Molecular FormulaC24H36N2O5Si2
Molecular Weight488.73 g/mol
Exact Mass488.22
IUPAC Nametert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H36N2O5Si2/c1-23(2,3)32(7,8)21-15-17(25(27)28)11-13-19(21)31-20-14-12-18(26(29)30)16-22(20)33(9,10)24(4,5)6/h11-16H,1-10H3
InChIKeyRCQSCIAKPYYQKS-UHFFFAOYSA-N
XLogP6.73
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.73
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-(2-chloro-5-nitrophenoxy)-dimethylsilane
CID 125116636
tert-butyl-(2-fluoro-5-nitrophenoxy)-dimethylsilane
CID 125116243
2-methylsulfanyl-1-(2-methylsulfanyl-4-nitrophenoxy)-4-nitrobenzene
CID 154507132
2,5-ditert-butyl-1,3-bis(2,4-dinitrophenoxy)benzene
CID 141160681
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1,4-bis(2,4-dinitrophenoxy)-2,3-dimethylbenzene
CID 141163009
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
(2-tert-butyl-4-nitrophenyl) acetate
CID 151212861
[2-[tert-butyl(dimethyl)silyl]oxy-4-nitrophenyl]methanamine
CID 167724908
1,4-ditert-butyl-2-(2,4-dinitrophenoxy)benzene
CID 154264981
(2-chloro-4-nitrophenyl) acetate
CID 14345185
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane (CID 18942791) is tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane is CC(C)(C)[Si](C)(C)c1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane?
The InChIKey is RCQSCIAKPYYQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5Si2/c1-23(2,3)32(7,8)21-15-17(25(27)28)11-13-19(21)31-20-14-12-18(26(29)30)16-22(20)33(9,10)24(4,5)6/h11-16H,1-10H3.
What are the key properties of tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane?
tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane has a molecular weight of 488.73 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[2-[tert-butyl(dimethyl)silyl]-4-nitrophenoxy]-5-nitrophenyl]-dimethylsilane is sourced from PubChem (CID 18942791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).