3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate

C13H24ClN3O2Si — CID 59748536

IUPAC3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate
SMILESCC(C#N)/N=N/C(C)CCC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C13H24ClN3O2Si/c1-11(16-17-12(2)10-15)6-7-13(18)19-8-5-9-20(3,4)14/h11-12H,5-9H2,1-4H3/b17-16+
InChIKeyFJXCLZSSVHXYGZ-WUKNDPDISA-N
MW317.89 g/mol
LogP3.90
Rot. Bonds9

About 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate

3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate (PubChem CID 59748536) has the molecular formula C13H24ClN3O2Si and a molecular weight of 317.89 g/mol. Its IUPAC name is 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate.

Molecular Properties

Compound Name3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate
PubChem CID59748536
Molecular FormulaC13H24ClN3O2Si
Molecular Weight317.89 g/mol
Exact Mass317.13
IUPAC Name3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate
SMILESCC(C#N)/N=N/C(C)CCC(=O)OCCC[Si](C)(C)Cl
InChIInChI=1S/C13H24ClN3O2Si/c1-11(16-17-12(2)10-15)6-7-13(18)19-8-5-9-20(3,4)14/h11-12H,5-9H2,1-4H3/b17-16+
InChIKeyFJXCLZSSVHXYGZ-WUKNDPDISA-N
XLogP3.90
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.89
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'silicon_halogen', 'substructure': 'N/A'}

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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
3-hydroxypropyl 4-methylpentanoate
CID 87401837
11-[dichloro(methyl)silyl]undecyl 4-cyano-4-[[2-cyano-5-[11-[dichloro(methyl)silyl]undecoxy]-5-oxopentan-2-yl]diazenyl]pentanoate
CID 101485397
15-methylhexadecyl 4-methylpentanoate
CID 175048377
12-methyltridecyl 4-methylpentanoate
CID 175056359
bis(4-methylpentyl) heptadecanedioate
CID 87117081
4-cyanobutyl 5-cyanopentanoate
CID 88549953
3-[chloro(dimethyl)silyl]propyl N-butylcarbamate
CID 18951454
4-(4-hydroxypentanoyloxy)butanoic acid
CID 57030364
6-hydroxyhexyl 4-methylpentanoate
CID 87401580
pentyl 4,4-bis(sulfanyl)butanoate
CID 57234757
11-[chloro(dimethyl)silyl]undecyl 2,2-dimethylpropanoate
CID 101408302

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate?
The IUPAC name of 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate (CID 59748536) is 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate.
What is the SMILES notation for 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate?
The canonical SMILES for 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate is CC(C#N)/N=N/C(C)CCC(=O)OCCC[Si](C)(C)Cl.
What is the InChIKey of 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate?
The InChIKey is FJXCLZSSVHXYGZ-WUKNDPDISA-N. The full InChI is InChI=1S/C13H24ClN3O2Si/c1-11(16-17-12(2)10-15)6-7-13(18)19-8-5-9-20(3,4)14/h11-12H,5-9H2,1-4H3/b17-16+.
What are the key properties of 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate?
3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate has a molecular weight of 317.89 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(dimethyl)silyl]propyl 4-(1-cyanoethyldiazenyl)pentanoate is sourced from PubChem (CID 59748536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).