2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene

C48H67ClN6O9Si2 — CID 136592114

IUPAC2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene
SMILESC=C[Si](C)(C)CCCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1.C=C[Si](C)(C)CCCOc1ccc(O)c(C(C)(C)C)c1.COc1ccc(/N=N/Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C24H33N3O4Si.C17H28O2Si.C7H6ClN3O3/c1-8-32(6,7)13-9-12-31-18-15-19(24(3,4)5)23(28)21(16-18)26-25-20-11-10-17(2)14-22(20)27(29)30;1-7-20(5,6)12-8-11-19-14-9-10-16(18)15(13-14)17(2,3)4;1-14-5-2-3-6(9-10-8)7(4-5)11(12)13/h8,10-11,14-16,28H,1,9,12-13H2,2-7H3;7,9-10,13,18H,1,8,11-12H2,2-6H3;2-4H,1H3/b26-25+;;10-9+
InChIKeyCYYOSSBBVNIZOM-RGLFOGPDSA-N
MW963.72 g/mol
LogP15.26
Rot. Bonds18

About 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene

2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene (PubChem CID 136592114) has the molecular formula C48H67ClN6O9Si2 and a molecular weight of 963.72 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene.

Molecular Properties

Compound Name2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene
PubChem CID136592114
Molecular FormulaC48H67ClN6O9Si2
Molecular Weight963.72 g/mol
Exact Mass962.42
IUPAC Name2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene
SMILESC=C[Si](C)(C)CCCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1.C=C[Si](C)(C)CCCOc1ccc(O)c(C(C)(C)C)c1.COc1ccc(/N=N/Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C24H33N3O4Si.C17H28O2Si.C7H6ClN3O3/c1-8-32(6,7)13-9-12-31-18-15-19(24(3,4)5)23(28)21(16-18)26-25-20-11-10-17(2)14-22(20)27(29)30;1-7-20(5,6)12-8-11-19-14-9-10-16(18)15(13-14)17(2,3)4;1-14-5-2-3-6(9-10-8)7(4-5)11(12)13/h8,10-11,14-16,28H,1,9,12-13H2,2-7H3;7,9-10,13,18H,1,8,11-12H2,2-6H3;2-4H,1H3/b26-25+;;10-9+
InChIKeyCYYOSSBBVNIZOM-RGLFOGPDSA-N
XLogP15.26
TPSA203.87 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500963.72
LogP ≤ 515.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-2-nitrophenyl)diazenyl]-5-(3-trimethylsilylpropoxy)phenol
CID 135703983
2-tert-butyl-6-[(4-chloro-2-nitrophenyl)diazenyl]-4-(2-methylbutan-2-yl)phenol
CID 137295417
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
2,4-ditert-butyl-6-[[2-nitro-4-(trifluoromethyl)phenyl]diazenyl]phenol
CID 135804131
1-[3-(3-methoxyphenoxy)propoxy]-4-methyl-2-nitrobenzene
CID 2284165
2-[(2-nitrophenyl)diazenyl]-5-octoxyphenol
CID 136827510
4-methoxy-1-[2-(4-methylphenoxy)ethoxy]-2-nitrobenzene
CID 55327751
(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 171057593
2-methyl-1-nitro-4-prop-2-enoxybenzene
CID 14239229
2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylphenol
CID 50884274
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-tert-butyl-4-methoxyphenol;2-tert-butyl-4-methyl-6-(2-methylpropyl)phenol
CID 163490839

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene?
The IUPAC name of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene (CID 136592114) is 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene.
What is the SMILES notation for 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene?
The canonical SMILES for 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene is C=C[Si](C)(C)CCCOc1cc(/N=N/c2ccc(C)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1.C=C[Si](C)(C)CCCOc1ccc(O)c(C(C)(C)C)c1.COc1ccc(/N=N/Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene?
The InChIKey is CYYOSSBBVNIZOM-RGLFOGPDSA-N. The full InChI is InChI=1S/C24H33N3O4Si.C17H28O2Si.C7H6ClN3O3/c1-8-32(6,7)13-9-12-31-18-15-19(24(3,4)5)23(28)21(16-18)26-25-20-11-10-17(2)14-22(20)27(29)30;1-7-20(5,6)12-8-11-19-14-9-10-16(18)15(13-14)17(2,3)4;1-14-5-2-3-6(9-10-8)7(4-5)11(12)13/h8,10-11,14-16,28H,1,9,12-13H2,2-7H3;7,9-10,13,18H,1,8,11-12H2,2-6H3;2-4H,1H3/b26-25+;;10-9+.
What are the key properties of 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene?
2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene has a molecular weight of 963.72 g/mol, XLogP of 15.26, 18 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]-6-[(4-methyl-2-nitrophenyl)diazenyl]phenol;2-tert-butyl-4-[3-[ethenyl(dimethyl)silyl]propoxy]phenol;chloro-(4-methoxy-2-nitrophenyl)diazene is sourced from PubChem (CID 136592114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).