3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate

C22H40Cl2N4O4Si2 — CID 59772181

IUPAC3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate
SMILESCC(C#N)(CCC(=O)OCCC[Si](C)(C)Cl)/N=N/C(C)(C#N)CCC(O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C22H40Cl2N4O4Si2/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/h19,29H,7-16H2,1-6H3/b28-27+
InChIKeyOZVHTZPMWGLKGG-BYYHNAKLSA-N
MW551.66 g/mol
LogP6.11
Rot. Bonds17

About 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate

3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate (PubChem CID 59772181) has the molecular formula C22H40Cl2N4O4Si2 and a molecular weight of 551.66 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate
PubChem CID59772181
Molecular FormulaC22H40Cl2N4O4Si2
Molecular Weight551.66 g/mol
Exact Mass550.20
IUPAC Name3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate
SMILESCC(C#N)(CCC(=O)OCCC[Si](C)(C)Cl)/N=N/C(C)(C#N)CCC(O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C22H40Cl2N4O4Si2/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/h19,29H,7-16H2,1-6H3/b28-27+
InChIKeyOZVHTZPMWGLKGG-BYYHNAKLSA-N
XLogP6.11
TPSA128.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.66
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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': 'het-C-het_not_in_ring', '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
11-[4-cyano-4-[[2-cyano-5-oxo-5-[11-(trimethylazaniumyl)undecoxy]pentan-2-yl]diazenyl]pentanoyl]oxyundecyl-trimethylazanium
CID 101449034
3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate
CID 59748536
1-ethoxyethyl 4-cyano-4-[[2-cyano-5-[1-[4-[1-[4-cyano-4-[[2-cyano-5-(1-ethoxyethoxy)-5-oxopentan-2-yl]diazenyl]pentanoyl]oxyethoxy]butoxy]ethoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 87157374
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
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
4-cyano-4-[[2-cyano-5-(1-ethoxyethoxy)-5-oxopentan-2-yl]diazenyl]pentanoic acid
CID 59010813
4-cyano-4-[(2-cyano-5-methoxy-5-oxopentan-2-yl)diazenyl]pentanoic acid
CID 90190970
3-(4-cyano-4,5,5-trimethylhexanoyl)oxypropyl 4-cyano-4,5,5-trimethylhexanoate
CID 118257808
butyl 4-cyano-4-methylpentanoate
CID 123643608
4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid;dihydrochloride
CID 141256752
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]pentanamide
CID 167208165

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate (CID 59772181) is 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate is CC(C#N)(CCC(=O)OCCC[Si](C)(C)Cl)/N=N/C(C)(C#N)CCC(O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate?
The InChIKey is OZVHTZPMWGLKGG-BYYHNAKLSA-N. The full InChI is InChI=1S/C22H40Cl2N4O4Si2/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/h19,29H,7-16H2,1-6H3/b28-27+.
What are the key properties of 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate?
3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate has a molecular weight of 551.66 g/mol, XLogP of 6.11, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propyl 4-[[5-[3-[chloro(dimethyl)silyl]propoxy]-2-cyano-5-hydroxypentan-2-yl]diazenyl]-4-cyanopentanoate is sourced from PubChem (CID 59772181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).