1-(ethenyldiazenyl)tricosan-8-one

C25H48N2O — CID 142548056

IUPAC1-(ethenyldiazenyl)tricosan-8-one
SMILESC=C/N=N/CCCCCCCC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C25H48N2O/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-22-25(28)23-20-17-15-18-21-24-27-26-4-2/h4H,2-3,5-24H2,1H3/b27-26+
InChIKeyPBRZAMYXRYBPPH-CYYJNZCTSA-N
MW392.67 g/mol
LogP8.97
Rot. Bonds23

About 1-(ethenyldiazenyl)tricosan-8-one

1-(ethenyldiazenyl)tricosan-8-one (PubChem CID 142548056) has the molecular formula C25H48N2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 1-(ethenyldiazenyl)tricosan-8-one.

Molecular Properties

Compound Name1-(ethenyldiazenyl)tricosan-8-one
PubChem CID142548056
Molecular FormulaC25H48N2O
Molecular Weight392.67 g/mol
Exact Mass392.38
IUPAC Name1-(ethenyldiazenyl)tricosan-8-one
SMILESC=C/N=N/CCCCCCCC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C25H48N2O/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-22-25(28)23-20-17-15-18-21-24-27-26-4-2/h4H,2-3,5-24H2,1H3/b27-26+
InChIKeyPBRZAMYXRYBPPH-CYYJNZCTSA-N
XLogP8.97
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.67
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

ethene;tridecan-7-one
CID 159715360
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
2-(6-oxohenicosyl)guanidine
CID 163454706
dodecan-5-one
CID 29771
tetradec-1-en-5-one
CID 11195184
pentacos-1-en-11-one
CID 21420755

Frequently Asked Questions

What is the IUPAC name of 1-(ethenyldiazenyl)tricosan-8-one?
The IUPAC name of 1-(ethenyldiazenyl)tricosan-8-one (CID 142548056) is 1-(ethenyldiazenyl)tricosan-8-one.
What is the SMILES notation for 1-(ethenyldiazenyl)tricosan-8-one?
The canonical SMILES for 1-(ethenyldiazenyl)tricosan-8-one is C=C/N=N/CCCCCCCC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of 1-(ethenyldiazenyl)tricosan-8-one?
The InChIKey is PBRZAMYXRYBPPH-CYYJNZCTSA-N. The full InChI is InChI=1S/C25H48N2O/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-22-25(28)23-20-17-15-18-21-24-27-26-4-2/h4H,2-3,5-24H2,1H3/b27-26+.
What are the key properties of 1-(ethenyldiazenyl)tricosan-8-one?
1-(ethenyldiazenyl)tricosan-8-one has a molecular weight of 392.67 g/mol, XLogP of 8.97, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenyldiazenyl)tricosan-8-one is sourced from PubChem (CID 142548056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).