2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate

C38H79N3O8Si4 — CID 140732053

IUPAC2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(C)(C)/N=N/C(C)(C#N)CCC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C38H79N3O8Si4/c1-14-16-30-50(6,7)48-52(10,11)32-18-24-44-26-28-46-35(42)20-22-37(3,4)40-41-38(5,34-39)23-21-36(43)47-29-27-45-25-19-33-53(12,13)49-51(8,9)31-17-15-2/h14-33H2,1-13H3/b41-40+
InChIKeyHPWVRIRTEQLJNU-CDJCAARLSA-N
MW818.41 g/mol
LogP10.41
Rot. Bonds32

About 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate

2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate (PubChem CID 140732053) has the molecular formula C38H79N3O8Si4 and a molecular weight of 818.41 g/mol. Its IUPAC name is 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate.

Molecular Properties

Compound Name2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate
PubChem CID140732053
Molecular FormulaC38H79N3O8Si4
Molecular Weight818.41 g/mol
Exact Mass817.49
IUPAC Name2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(C)(C)/N=N/C(C)(C#N)CCC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C38H79N3O8Si4/c1-14-16-30-50(6,7)48-52(10,11)32-18-24-44-26-28-46-35(42)20-22-37(3,4)40-41-38(5,34-39)23-21-36(43)47-29-27-45-25-19-33-53(12,13)49-51(8,9)31-17-15-2/h14-33H2,1-13H3/b41-40+
InChIKeyHPWVRIRTEQLJNU-CDJCAARLSA-N
XLogP10.41
TPSA138.03 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds32
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.41
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

11-[dichloro(methyl)silyl]undecyl 4-cyano-4-[[2-cyano-5-[11-[dichloro(methyl)silyl]undecoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 101485397
3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate
CID 59772181
2-[3-[[[[[[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate
CID 59620846
2-[3-[[[[[[[[[[[[3-[2-(4-chloro-4-oxobutanoyl)oxyethoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 4-chloro-4-oxobutanoate
CID 155790031
2-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl 2-methylprop-2-enoate;methane
CID 159570466
11-[4-cyano-4-[[2-cyano-5-oxo-5-[11-(trimethylazaniumyl)undecoxy]pentan-2-yl]diazenyl]pentanoyl]oxyundecyl-trimethylazanium
CID 101449034
2-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]ethyl ethenyl carbonate
CID 58104910
butyl 4-cyano-4-methylpentanoate
CID 123643608
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
CID 157385511
4-cyano-4-[(2-cyano-5-methoxy-5-oxopentan-2-yl)diazenyl]pentanoic acid
CID 90190970
2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate?
The IUPAC name of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate (CID 140732053) is 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate.
What is the SMILES notation for 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate?
The canonical SMILES for 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate is CCCC[Si](C)(C)O[Si](C)(C)CCCOCCOC(=O)CCC(C)(C)/N=N/C(C)(C#N)CCC(=O)OCCOCCC[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate?
The InChIKey is HPWVRIRTEQLJNU-CDJCAARLSA-N. The full InChI is InChI=1S/C38H79N3O8Si4/c1-14-16-30-50(6,7)48-52(10,11)32-18-24-44-26-28-46-35(42)20-22-37(3,4)40-41-38(5,34-39)23-21-36(43)47-29-27-45-25-19-33-53(12,13)49-51(8,9)31-17-15-2/h14-33H2,1-13H3/b41-40+.
What are the key properties of 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate?
2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate has a molecular weight of 818.41 g/mol, XLogP of 10.41, 32 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethyl 4-[[5-[2-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-2-methyl-5-oxopentan-2-yl]diazenyl]-4-cyanopentanoate is sourced from PubChem (CID 140732053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).