2,10-diiodoundecan-6-one

C11H20I2O — CID 87448704

IUPAC2,10-diiodoundecan-6-one
SMILESCC(I)CCCC(=O)CCCC(C)I
InChIInChI=1S/C11H20I2O/c1-9(12)5-3-7-11(14)8-4-6-10(2)13/h9-10H,3-8H2,1-2H3
InChIKeyOIAPMNBXFOREPD-UHFFFAOYSA-N
MW422.09 g/mol
LogP4.54
Rot. Bonds8

About 2,10-diiodoundecan-6-one

2,10-diiodoundecan-6-one (PubChem CID 87448704) has the molecular formula C11H20I2O and a molecular weight of 422.09 g/mol. Its IUPAC name is 2,10-diiodoundecan-6-one.

Molecular Properties

Compound Name2,10-diiodoundecan-6-one
PubChem CID87448704
Molecular FormulaC11H20I2O
Molecular Weight422.09 g/mol
Exact Mass421.96
IUPAC Name2,10-diiodoundecan-6-one
SMILESCC(I)CCCC(=O)CCCC(C)I
InChIInChI=1S/C11H20I2O/c1-9(12)5-3-7-11(14)8-4-6-10(2)13/h9-10H,3-8H2,1-2H3
InChIKeyOIAPMNBXFOREPD-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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

2,10-dihydroxyundecan-6-one
CID 56979503
2,16-dimethylheptadecan-6-one
CID 158111781
1-hydroxy-8-methylnonan-4-one
CID 87402189
2-methylundecan-6-one
CID 86122551
8-methyl-1-(methylamino)nonan-4-one
CID 116555639
(5S)-5-iodohexan-1-ol
CID 139766894
2-methyl-6-oxodecanoic acid
CID 22217196
8-chloro-4-oxononanoic acid
CID 56994510
2-aminoundecan-6-one
CID 116610207
ethane;7-methyloctan-3-one
CID 142816942
1-bromo-7-methyloctan-4-one
CID 106798810
8-hydroxy-2-methylnonan-4-one
CID 57006312

Frequently Asked Questions

What is the IUPAC name of 2,10-diiodoundecan-6-one?
The IUPAC name of 2,10-diiodoundecan-6-one (CID 87448704) is 2,10-diiodoundecan-6-one.
What is the SMILES notation for 2,10-diiodoundecan-6-one?
The canonical SMILES for 2,10-diiodoundecan-6-one is CC(I)CCCC(=O)CCCC(C)I.
What is the InChIKey of 2,10-diiodoundecan-6-one?
The InChIKey is OIAPMNBXFOREPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20I2O/c1-9(12)5-3-7-11(14)8-4-6-10(2)13/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,10-diiodoundecan-6-one?
2,10-diiodoundecan-6-one has a molecular weight of 422.09 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diiodoundecan-6-one is sourced from PubChem (CID 87448704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).