1,3-diiodo-2,5-di(propan-2-yl)benzene

C12H16I2 — CID 166848646

IUPAC1,3-diiodo-2,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(I)c(C(C)C)c(I)c1
InChIInChI=1S/C12H16I2/c1-7(2)9-5-10(13)12(8(3)4)11(14)6-9/h5-8H,1-4H3
InChIKeyHFFZPHJAGXDDQV-UHFFFAOYSA-N
MW414.07 g/mol
LogP5.14
Rot. Bonds2

About 1,3-diiodo-2,5-di(propan-2-yl)benzene

1,3-diiodo-2,5-di(propan-2-yl)benzene (PubChem CID 166848646) has the molecular formula C12H16I2 and a molecular weight of 414.07 g/mol. Its IUPAC name is 1,3-diiodo-2,5-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1,3-diiodo-2,5-di(propan-2-yl)benzene
PubChem CID166848646
Molecular FormulaC12H16I2
Molecular Weight414.07 g/mol
Exact Mass413.93
IUPAC Name1,3-diiodo-2,5-di(propan-2-yl)benzene
SMILESCC(C)c1cc(I)c(C(C)C)c(I)c1
InChIInChI=1S/C12H16I2/c1-7(2)9-5-10(13)12(8(3)4)11(14)6-9/h5-8H,1-4H3
InChIKeyHFFZPHJAGXDDQV-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.07
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diiodo-2,5-di(propan-2-yl)benzene?
The IUPAC name of 1,3-diiodo-2,5-di(propan-2-yl)benzene (CID 166848646) is 1,3-diiodo-2,5-di(propan-2-yl)benzene.
What is the SMILES notation for 1,3-diiodo-2,5-di(propan-2-yl)benzene?
The canonical SMILES for 1,3-diiodo-2,5-di(propan-2-yl)benzene is CC(C)c1cc(I)c(C(C)C)c(I)c1.
What is the InChIKey of 1,3-diiodo-2,5-di(propan-2-yl)benzene?
The InChIKey is HFFZPHJAGXDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I2/c1-7(2)9-5-10(13)12(8(3)4)11(14)6-9/h5-8H,1-4H3.
What are the key properties of 1,3-diiodo-2,5-di(propan-2-yl)benzene?
1,3-diiodo-2,5-di(propan-2-yl)benzene has a molecular weight of 414.07 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodo-2,5-di(propan-2-yl)benzene is sourced from PubChem (CID 166848646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).