1-dodecan-6-yl-2,4-diiodobenzene

C18H28I2 — CID 166788194

IUPAC1-dodecan-6-yl-2,4-diiodobenzene
SMILESCCCCCCC(CCCCC)c1ccc(I)cc1I
InChIInChI=1S/C18H28I2/c1-3-5-7-9-11-15(10-8-6-4-2)17-13-12-16(19)14-18(17)20/h12-15H,3-11H2,1-2H3
InChIKeyFUAOPUUEVDTEJA-UHFFFAOYSA-N
MW498.23 g/mol
LogP7.53
Rot. Bonds10

About 1-dodecan-6-yl-2,4-diiodobenzene

1-dodecan-6-yl-2,4-diiodobenzene (PubChem CID 166788194) has the molecular formula C18H28I2 and a molecular weight of 498.23 g/mol. Its IUPAC name is 1-dodecan-6-yl-2,4-diiodobenzene.

Molecular Properties

Compound Name1-dodecan-6-yl-2,4-diiodobenzene
PubChem CID166788194
Molecular FormulaC18H28I2
Molecular Weight498.23 g/mol
Exact Mass498.03
IUPAC Name1-dodecan-6-yl-2,4-diiodobenzene
SMILESCCCCCCC(CCCCC)c1ccc(I)cc1I
InChIInChI=1S/C18H28I2/c1-3-5-7-9-11-15(10-8-6-4-2)17-13-12-16(19)14-18(17)20/h12-15H,3-11H2,1-2H3
InChIKeyFUAOPUUEVDTEJA-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.23
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-3-octylbenzene
CID 134966058
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
1-(4-iodophenyl)heptan-1-amine
CID 115833109
2-icosan-9-ylaniline
CID 22408958
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
4-bromo-2-heptyl-1-undecan-4-ylbenzene
CID 155155349
(1S)-1-(2-fluoro-5-iodophenyl)hexan-1-amine;hydrochloride
CID 171235820
2-pentadecan-6-ylphenol
CID 66865451
2-bromo-3-hexadecan-7-ylthiophene
CID 164890345
1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872
1,2-di(nonyl)-3-tritetracontan-11-ylbenzene
CID 90921779

Frequently Asked Questions

What is the IUPAC name of 1-dodecan-6-yl-2,4-diiodobenzene?
The IUPAC name of 1-dodecan-6-yl-2,4-diiodobenzene (CID 166788194) is 1-dodecan-6-yl-2,4-diiodobenzene.
What is the SMILES notation for 1-dodecan-6-yl-2,4-diiodobenzene?
The canonical SMILES for 1-dodecan-6-yl-2,4-diiodobenzene is CCCCCCC(CCCCC)c1ccc(I)cc1I.
What is the InChIKey of 1-dodecan-6-yl-2,4-diiodobenzene?
The InChIKey is FUAOPUUEVDTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28I2/c1-3-5-7-9-11-15(10-8-6-4-2)17-13-12-16(19)14-18(17)20/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-dodecan-6-yl-2,4-diiodobenzene?
1-dodecan-6-yl-2,4-diiodobenzene has a molecular weight of 498.23 g/mol, XLogP of 7.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecan-6-yl-2,4-diiodobenzene is sourced from PubChem (CID 166788194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).