1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene

C8H10I2 — CID 155236159

IUPAC1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(I)=C(I)CC1
InChIInChI=1S/C8H10I2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H2,1-2H3
InChIKeyLAXCBFSXTUCICL-UHFFFAOYSA-N
MW359.98 g/mol
LogP4.20
Rot. Bonds

About 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene

1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene (PubChem CID 155236159) has the molecular formula C8H10I2 and a molecular weight of 359.98 g/mol. Its IUPAC name is 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene
PubChem CID155236159
Molecular FormulaC8H10I2
Molecular Weight359.98 g/mol
Exact Mass359.89
IUPAC Name1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene
SMILESCC1=C(C)C(I)=C(I)CC1
InChIInChI=1S/C8H10I2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H2,1-2H3
InChIKeyLAXCBFSXTUCICL-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.98
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene (CID 155236159) is 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene is CC1=C(C)C(I)=C(I)CC1.
What is the InChIKey of 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene?
The InChIKey is LAXCBFSXTUCICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10I2/c1-5-3-4-7(9)8(10)6(5)2/h3-4H2,1-2H3.
What are the key properties of 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene?
1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene has a molecular weight of 359.98 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodo-3,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 155236159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).