5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one

C14H26N2O2 — CID 175146377

IUPAC5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
SMILESCC(C)CCC(=O)C/N=N/CC(=O)CCC(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)5-7-13(17)9-15-16-10-14(18)8-6-12(3)4/h11-12H,5-10H2,1-4H3/b16-15+
InChIKeyHTSHSKVZDAOQRA-FOCLMDBBSA-N
MW254.37 g/mol
LogP3.45
Rot. Bonds10

About 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one

5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one (PubChem CID 175146377) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
PubChem CID175146377
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one
SMILESCC(C)CCC(=O)C/N=N/CC(=O)CCC(C)C
InChIInChI=1S/C14H26N2O2/c1-11(2)5-7-13(17)9-15-16-10-14(18)8-6-12(3)4/h11-12H,5-10H2,1-4H3/b16-15+
InChIKeyHTSHSKVZDAOQRA-FOCLMDBBSA-N
XLogP3.45
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,8,9-trimethyldecan-5-one
CID 162772851
2,9-dimethyldecane-4,6-dione
CID 152780076
2-amino-7-methyloctan-4-one
CID 116555796
8-hydroxy-2,11-dimethyldodecan-5-one
CID 54387052
1-bromo-7-methyloctan-4-one
CID 106798810
1,1,1-trifluoro-6-methylheptan-3-one
CID 62620055
2,8-dimethylnon-1-en-5-one
CID 114473507
2-methyltetradecan-5-one
CID 19931308
1-(ethylamino)-5-methylhexan-2-one
CID 116562437
methyl 4-methylpentaneperoxoate
CID 89052097
2,6-dimethylheptan-4-one;5-methylhexan-2-one
CID 88697321
copper(1+);4-methylpentanoate
CID 159345928

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one?
The IUPAC name of 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one (CID 175146377) is 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one.
What is the SMILES notation for 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one?
The canonical SMILES for 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one is CC(C)CCC(=O)C/N=N/CC(=O)CCC(C)C.
What is the InChIKey of 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one?
The InChIKey is HTSHSKVZDAOQRA-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)5-7-13(17)9-15-16-10-14(18)8-6-12(3)4/h11-12H,5-10H2,1-4H3/b16-15+.
What are the key properties of 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one?
5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one has a molecular weight of 254.37 g/mol, XLogP of 3.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-2-oxohexyl)diazenyl]hexan-2-one is sourced from PubChem (CID 175146377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).