2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate

C69H101Cl5N12O8Si5 — CID 158535183

IUPAC2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate
SMILESCC(C#N)(C#N)/N=N/c1cccc(CC[Si](C)(C)Cl)c1.CC(C#N)(CCC(=O)OCCC[Si](C)(C)Cl)/N=N/C(C)(C#N)CCC(=O)OCCC[Si](C)(C)Cl.CC(C)(C#N)/N=N/C(C)(C#N)CCC(=O)OCCC[Si](C)(C)Cl.C[Si](C)(Cl)CCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H38Cl2N4O4Si2.C18H21ClO2Si.C15H25ClN4O2Si.C14H17ClN4Si/c1-21(17-25,11-9-19(29)31-13-7-15-33(3,4)23)27-28-22(2,18-26)12-10-20(30)32-14-8-16-34(5,6)24;1-22(2,19)14-6-13-21-17-11-9-16(10-12-17)18(20)15-7-4-3-5-8-15;1-14(2,11-17)19-20-15(3,12-18)8-7-13(21)22-9-6-10-23(4,5)16;1-14(10-16,11-17)19-18-13-6-4-5-12(9-13)7-8-20(2,3)15/h7-16H2,1-6H3;3-5,7-12H,6,13-14H2,1-2H3;6-10H2,1-5H3;4-6,9H,7-8H2,1-3H3/b28-27+;;20-19+;19-18+
InChIKeyHNVXIGKOKSNNKY-RBSSPKAZSA-N
MW1544.34 g/mol
LogP20.19
Rot. Bonds37

About 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate

2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate (PubChem CID 158535183) has the molecular formula C69H101Cl5N12O8Si5 and a molecular weight of 1544.34 g/mol. Its IUPAC name is 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate.

Molecular Properties

Compound Name2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate
PubChem CID158535183
Molecular FormulaC69H101Cl5N12O8Si5
Molecular Weight1544.34 g/mol
Exact Mass1540.52
IUPAC Name2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate
SMILESCC(C#N)(C#N)/N=N/c1cccc(CC[Si](C)(C)Cl)c1.CC(C#N)(CCC(=O)OCCC[Si](C)(C)Cl)/N=N/C(C)(C#N)CCC(=O)OCCC[Si](C)(C)Cl.CC(C)(C#N)/N=N/C(C)(C#N)CCC(=O)OCCC[Si](C)(C)Cl.C[Si](C)(Cl)CCCOc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H38Cl2N4O4Si2.C18H21ClO2Si.C15H25ClN4O2Si.C14H17ClN4Si/c1-21(17-25,11-9-19(29)31-13-7-15-33(3,4)23)27-28-22(2,18-26)12-10-20(30)32-14-8-16-34(5,6)24;1-22(2,19)14-6-13-21-17-11-9-16(10-12-17)18(20)15-7-4-3-5-8-15;1-14(2,11-17)19-20-15(3,12-18)8-7-13(21)22-9-6-10-23(4,5)16;1-14(10-16,11-17)19-18-13-6-4-5-12(9-13)7-8-20(2,3)15/h7-16H2,1-6H3;3-5,7-12H,6,13-14H2,1-2H3;6-10H2,1-5H3;4-6,9H,7-8H2,1-3H3/b28-27+;;20-19+;19-18+
InChIKeyHNVXIGKOKSNNKY-RBSSPKAZSA-N
XLogP20.19
TPSA322.10 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001544.34
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', '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'}

Analyze 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate with MolForge

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Related Compounds

3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate
CID 59772181
11-[dichloro(methyl)silyl]undecyl 4-cyano-4-[[2-cyano-5-[11-[dichloro(methyl)silyl]undecoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 101485397
benzyl 4-cyano-4-[(2-cyano-5-oxo-7-phenylheptan-2-yl)diazenyl]pentanoate
CID 168793297
11-(4-benzoylphenoxy)undecyl 2-bromo-2-methylpropanoate
CID 153483732
benzoyl benzenecarboperoxoate;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile
CID 18407465
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
11-[4-cyano-4-[[2-cyano-5-oxo-5-[11-(trimethylazaniumyl)undecoxy]pentan-2-yl]diazenyl]pentanoyl]oxyundecyl-trimethylazanium
CID 101449034
[3-[3-[(4-ethoxyphenyl)-dimethylsilyl]propyl]phenyl]-phenylmethanone
CID 15622142
1-[3-[3-[3-oxo-3-(2-phenoxyethoxy)propyl]phenyl]propanoyloxy]propan-2-yl benzoate
CID 158213707
cyanomethyl 2-(4-benzoylphenoxy)acetate
CID 2596653
4-oxo-4-[3-[3-(4-phenoxybutoxy)phenyl]propoxy]butanoic acid
CID 57013169
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate?
The IUPAC name of 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate (CID 158535183) is 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate.
What is the SMILES notation for 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate?
The canonical SMILES for 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate is CC(C#N)(C#N)/N=N/c1cccc(CC[Si](C)(C)Cl)c1.CC(C#N)(CCC(=O)OCCC[Si](C)(C)Cl)/N=N/C(C)(C#N)CCC(=O)OCCC[Si](C)(C)Cl.CC(C)(C#N)/N=N/C(C)(C#N)CCC(=O)OCCC[Si](C)(C)Cl.C[Si](C)(Cl)CCCOc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate?
The InChIKey is HNVXIGKOKSNNKY-RBSSPKAZSA-N. The full InChI is InChI=1S/C22H38Cl2N4O4Si2.C18H21ClO2Si.C15H25ClN4O2Si.C14H17ClN4Si/c1-21(17-25,11-9-19(29)31-13-7-15-33(3,4)23)27-28-22(2,18-26)12-10-20(30)32-14-8-16-34(5,6)24;1-22(2,19)14-6-13-21-17-11-9-16(10-12-17)18(20)15-7-4-3-5-8-15;1-14(2,11-17)19-20-15(3,12-18)8-7-13(21)22-9-6-10-23(4,5)16;1-14(10-16,11-17)19-18-13-6-4-5-12(9-13)7-8-20(2,3)15/h7-16H2,1-6H3;3-5,7-12H,6,13-14H2,1-2H3;6-10H2,1-5H3;4-6,9H,7-8H2,1-3H3/b28-27+;;20-19+;19-18+.
What are the key properties of 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate?
2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate has a molecular weight of 1544.34 g/mol, XLogP of 20.19, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[chloro(dimethyl)silyl]ethyl]phenyl]diazenyl]-2-methylpropanedinitrile;[4-[3-[chloro(dimethyl)silyl]propoxy]phenyl]-phenylmethanone;3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate;3-[chloro(dimethyl)silyl]propyl 4-cyano-4-(2-cyanopropan-2-yldiazenyl)pentanoate is sourced from PubChem (CID 158535183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).