5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene

C9H12I2 — CID 175431810

IUPAC5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(I)(I)C(C)=C1C
InChIInChI=1S/C9H12I2/c1-5-6(2)8(4)9(10,11)7(5)3/h1-4H3
InChIKeyFZNOWVXJSLQAPS-UHFFFAOYSA-N
MW374.00 g/mol
LogP4.24
Rot. Bonds

About 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene

5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene (PubChem CID 175431810) has the molecular formula C9H12I2 and a molecular weight of 374.00 g/mol. Its IUPAC name is 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
PubChem CID175431810
Molecular FormulaC9H12I2
Molecular Weight374.00 g/mol
Exact Mass373.90
IUPAC Name5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(I)(I)C(C)=C1C
InChIInChI=1S/C9H12I2/c1-5-6(2)8(4)9(10,11)7(5)3/h1-4H3
InChIKeyFZNOWVXJSLQAPS-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.00
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene (CID 175431810) is 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene is CC1=C(C)C(I)(I)C(C)=C1C.
What is the InChIKey of 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene?
The InChIKey is FZNOWVXJSLQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12I2/c1-5-6(2)8(4)9(10,11)7(5)3/h1-4H3.
What are the key properties of 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene?
5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene has a molecular weight of 374.00 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diiodo-1,2,3,4-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 175431810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).