4,6-diiodo-4,6-dimethylnonan-5-one

C11H20I2O — CID 151670843

IUPAC4,6-diiodo-4,6-dimethylnonan-5-one
SMILESCCCC(C)(I)C(=O)C(C)(I)CCC
InChIInChI=1S/C11H20I2O/c1-5-7-10(3,12)9(14)11(4,13)8-6-2/h5-8H2,1-4H3
InChIKeyQYNBBXODFMUMLL-UHFFFAOYSA-N
MW422.09 g/mol
LogP4.54
Rot. Bonds6

About 4,6-diiodo-4,6-dimethylnonan-5-one

4,6-diiodo-4,6-dimethylnonan-5-one (PubChem CID 151670843) has the molecular formula C11H20I2O and a molecular weight of 422.09 g/mol. Its IUPAC name is 4,6-diiodo-4,6-dimethylnonan-5-one.

Molecular Properties

Compound Name4,6-diiodo-4,6-dimethylnonan-5-one
PubChem CID151670843
Molecular FormulaC11H20I2O
Molecular Weight422.09 g/mol
Exact Mass421.96
IUPAC Name4,6-diiodo-4,6-dimethylnonan-5-one
SMILESCCCC(C)(I)C(=O)C(C)(I)CCC
InChIInChI=1S/C11H20I2O/c1-5-7-10(3,12)9(14)11(4,13)8-6-2/h5-8H2,1-4H3
InChIKeyQYNBBXODFMUMLL-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.09
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-iodopentanoic acid
CID 23071156
3,3,5,5-tetramethyloctan-4-one
CID 89362590
2-methyl-2-propylsulfanylpentanethioic S-acid
CID 88778175
4-methylheptan-4-yl acetate
CID 58165665
3-fluoro-3-methylhexan-2-one
CID 157210993
2-iodopentan-2-amine
CID 144517487
[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-iodo-2-methylpentanoate
CID 162555485
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
2-fluoro-2-methylpentanamide
CID 134346431
silver 2,2-dimethylpentanoate
CID 121375132
CID 101008751
CID 101008751
4-methyl-4-propylheptanoic acid
CID 155199633

Frequently Asked Questions

What is the IUPAC name of 4,6-diiodo-4,6-dimethylnonan-5-one?
The IUPAC name of 4,6-diiodo-4,6-dimethylnonan-5-one (CID 151670843) is 4,6-diiodo-4,6-dimethylnonan-5-one.
What is the SMILES notation for 4,6-diiodo-4,6-dimethylnonan-5-one?
The canonical SMILES for 4,6-diiodo-4,6-dimethylnonan-5-one is CCCC(C)(I)C(=O)C(C)(I)CCC.
What is the InChIKey of 4,6-diiodo-4,6-dimethylnonan-5-one?
The InChIKey is QYNBBXODFMUMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20I2O/c1-5-7-10(3,12)9(14)11(4,13)8-6-2/h5-8H2,1-4H3.
What are the key properties of 4,6-diiodo-4,6-dimethylnonan-5-one?
4,6-diiodo-4,6-dimethylnonan-5-one has a molecular weight of 422.09 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodo-4,6-dimethylnonan-5-one is sourced from PubChem (CID 151670843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).