5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene

C9H13I — CID 134341968

IUPAC5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=CC(C)(I)C(C)=C1C
InChIInChI=1S/C9H13I/c1-6-5-9(4,10)8(3)7(6)2/h5H,1-4H3
InChIKeySTLPUNYPVDGXOD-UHFFFAOYSA-N
MW248.11 g/mol
LogP3.48
Rot. Bonds

About 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene

5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene (PubChem CID 134341968) has the molecular formula C9H13I and a molecular weight of 248.11 g/mol. Its IUPAC name is 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene
PubChem CID134341968
Molecular FormulaC9H13I
Molecular Weight248.11 g/mol
Exact Mass248.01
IUPAC Name5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene
SMILESCC1=CC(C)(I)C(C)=C1C
InChIInChI=1S/C9H13I/c1-6-5-9(4,10)8(3)7(6)2/h5H,1-4H3
InChIKeySTLPUNYPVDGXOD-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 53.48
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-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene?
The IUPAC name of 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene (CID 134341968) is 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene?
The canonical SMILES for 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene is CC1=CC(C)(I)C(C)=C1C.
What is the InChIKey of 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene?
The InChIKey is STLPUNYPVDGXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13I/c1-6-5-9(4,10)8(3)7(6)2/h5H,1-4H3.
What are the key properties of 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene?
5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene has a molecular weight of 248.11 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,2,3,5-tetramethylcyclopenta-1,3-diene is sourced from PubChem (CID 134341968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).