6-ethyl-1,4-diiodonaphthalene

C12H10I2 — CID 134461734

IUPAC6-ethyl-1,4-diiodonaphthalene
SMILESCCc1ccc2c(I)ccc(I)c2c1
InChIInChI=1S/C12H10I2/c1-2-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h3-7H,2H2,1H3
InChIKeyDIQNLLOXQAFYEK-UHFFFAOYSA-N
MW408.02 g/mol
LogP4.61
Rot. Bonds1

About 6-ethyl-1,4-diiodonaphthalene

6-ethyl-1,4-diiodonaphthalene (PubChem CID 134461734) has the molecular formula C12H10I2 and a molecular weight of 408.02 g/mol. Its IUPAC name is 6-ethyl-1,4-diiodonaphthalene.

Molecular Properties

Compound Name6-ethyl-1,4-diiodonaphthalene
PubChem CID134461734
Molecular FormulaC12H10I2
Molecular Weight408.02 g/mol
Exact Mass407.89
IUPAC Name6-ethyl-1,4-diiodonaphthalene
SMILESCCc1ccc2c(I)ccc(I)c2c1
InChIInChI=1S/C12H10I2/c1-2-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h3-7H,2H2,1H3
InChIKeyDIQNLLOXQAFYEK-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.02
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-ethyl-9,10-dimethylanthracene;methane
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9,10-dibromo-2-ethyl-6-methylanthracene
CID 141353803
4-ethyl-1-iodo-2-(2,2,2-trifluoroethoxy)benzene
CID 143778642
bis(2,7-diethyl-9H-fluoren-9-ide);bis(zirconium(2+));dichloride
CID 23032029
5-ethyl-1,2,3-triiodobenzene
CID 70822750
1,4-diethylbenzene;ethane
CID 91207141
2-tert-butyl-6-ethyl-9,10-dimethylanthracene
CID 145498323
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4-chloro-6-ethyl-3-iodo-2-methylquinoline
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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,4-diiodonaphthalene?
The IUPAC name of 6-ethyl-1,4-diiodonaphthalene (CID 134461734) is 6-ethyl-1,4-diiodonaphthalene.
What is the SMILES notation for 6-ethyl-1,4-diiodonaphthalene?
The canonical SMILES for 6-ethyl-1,4-diiodonaphthalene is CCc1ccc2c(I)ccc(I)c2c1.
What is the InChIKey of 6-ethyl-1,4-diiodonaphthalene?
The InChIKey is DIQNLLOXQAFYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10I2/c1-2-8-3-4-9-10(7-8)12(14)6-5-11(9)13/h3-7H,2H2,1H3.
What are the key properties of 6-ethyl-1,4-diiodonaphthalene?
6-ethyl-1,4-diiodonaphthalene has a molecular weight of 408.02 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,4-diiodonaphthalene is sourced from PubChem (CID 134461734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).