1,3,5-triiodo-2,4,6-trimethylbenzene

C9H9I3 — CID 635613

IUPAC1,3,5-triiodo-2,4,6-trimethylbenzene
SMILESCc1c(I)c(C)c(I)c(C)c1I
InChIInChI=1S/C9H9I3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3
InChIKeyUUMJKZVRNPVQAM-UHFFFAOYSA-N
MW497.88 g/mol
LogP4.43
Rot. Bonds

About 1,3,5-triiodo-2,4,6-trimethylbenzene

1,3,5-triiodo-2,4,6-trimethylbenzene (PubChem CID 635613) has the molecular formula C9H9I3 and a molecular weight of 497.88 g/mol. Its IUPAC name is 1,3,5-triiodo-2,4,6-trimethylbenzene.

Molecular Properties

Compound Name1,3,5-triiodo-2,4,6-trimethylbenzene
PubChem CID635613
Molecular FormulaC9H9I3
Molecular Weight497.88 g/mol
Exact Mass497.78
IUPAC Name1,3,5-triiodo-2,4,6-trimethylbenzene
SMILESCc1c(I)c(C)c(I)c(C)c1I
InChIInChI=1S/C9H9I3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3
InChIKeyUUMJKZVRNPVQAM-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.88
LogP ≤ 54.43
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

CID 69097
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CID 77885
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CID 77647
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CID 140924
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CID 136195
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CID 18690512
CID 18690512
CID 12575960
CID 12575960
CID 2734195
CID 2734195
CID 77461
CID 77461
CID 9896522
CID 9896522
CID 73555076
CID 73555076
CID 2801501
CID 2801501

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triiodo-2,4,6-trimethylbenzene?
The IUPAC name of 1,3,5-triiodo-2,4,6-trimethylbenzene (CID 635613) is 1,3,5-triiodo-2,4,6-trimethylbenzene.
What is the SMILES notation for 1,3,5-triiodo-2,4,6-trimethylbenzene?
The canonical SMILES for 1,3,5-triiodo-2,4,6-trimethylbenzene is Cc1c(I)c(C)c(I)c(C)c1I.
What is the InChIKey of 1,3,5-triiodo-2,4,6-trimethylbenzene?
The InChIKey is UUMJKZVRNPVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9I3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h1-3H3.
What are the key properties of 1,3,5-triiodo-2,4,6-trimethylbenzene?
1,3,5-triiodo-2,4,6-trimethylbenzene has a molecular weight of 497.88 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triiodo-2,4,6-trimethylbenzene is sourced from PubChem (CID 635613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).