1,1-diiodohexan-2-one

C6H10I2O — CID 12616826

IUPAC1,1-diiodohexan-2-one
SMILESCCCCC(=O)C(I)I
InChIInChI=1S/C6H10I2O/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3
InChIKeyGIPAZQLIJWYUNZ-UHFFFAOYSA-N
MW351.95 g/mol
LogP2.94
Rot. Bonds4

About 1,1-diiodohexan-2-one

1,1-diiodohexan-2-one (PubChem CID 12616826) has the molecular formula C6H10I2O and a molecular weight of 351.95 g/mol. Its IUPAC name is 1,1-diiodohexan-2-one.

Molecular Properties

Compound Name1,1-diiodohexan-2-one
PubChem CID12616826
Molecular FormulaC6H10I2O
Molecular Weight351.95 g/mol
Exact Mass351.88
IUPAC Name1,1-diiodohexan-2-one
SMILESCCCCC(=O)C(I)I
InChIInChI=1S/C6H10I2O/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3
InChIKeyGIPAZQLIJWYUNZ-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.95
LogP ≤ 52.94
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-methylheptan-3-one;hydrate
CID 176897102
4-propylnonan-5-one
CID 19931333
1-chloro-1-fluorohexan-2-one
CID 45119049
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
2-chloro-3-oxoheptanoic acid
CID 23089387
(2S)-1,2-diaminoheptan-3-one
CID 157131527
2-methyl-3-oxoheptanal
CID 89327816
2-dimethoxyphosphorylheptan-3-one
CID 57262784
1,1-bis(sulfanyl)heptan-2-one
CID 88623659
2-methylhexadecan-3-one
CID 58030381
25-methylnonatetracontane-24,26-dione
CID 173069947
4-propylnon-1-en-5-one
CID 11105997

Frequently Asked Questions

What is the IUPAC name of 1,1-diiodohexan-2-one?
The IUPAC name of 1,1-diiodohexan-2-one (CID 12616826) is 1,1-diiodohexan-2-one.
What is the SMILES notation for 1,1-diiodohexan-2-one?
The canonical SMILES for 1,1-diiodohexan-2-one is CCCCC(=O)C(I)I.
What is the InChIKey of 1,1-diiodohexan-2-one?
The InChIKey is GIPAZQLIJWYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10I2O/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3.
What are the key properties of 1,1-diiodohexan-2-one?
1,1-diiodohexan-2-one has a molecular weight of 351.95 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diiodohexan-2-one is sourced from PubChem (CID 12616826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).