5-chloro-1,3-dimethylcyclopenta-1,3-diene

C7H9Cl — CID 174422418

IUPAC5-chloro-1,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(Cl)C(C)=C1
InChIInChI=1S/C7H9Cl/c1-5-3-6(2)7(8)4-5/h3-4,7H,1-2H3
InChIKeyLGSFGASBIATKDW-UHFFFAOYSA-N
MW128.60 g/mol
LogP2.50
Rot. Bonds

About 5-chloro-1,3-dimethylcyclopenta-1,3-diene

5-chloro-1,3-dimethylcyclopenta-1,3-diene (PubChem CID 174422418) has the molecular formula C7H9Cl and a molecular weight of 128.60 g/mol. Its IUPAC name is 5-chloro-1,3-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-chloro-1,3-dimethylcyclopenta-1,3-diene
PubChem CID174422418
Molecular FormulaC7H9Cl
Molecular Weight128.60 g/mol
Exact Mass128.04
IUPAC Name5-chloro-1,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(Cl)C(C)=C1
InChIInChI=1S/C7H9Cl/c1-5-3-6(2)7(8)4-5/h3-4,7H,1-2H3
InChIKeyLGSFGASBIATKDW-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.60
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethylcyclopenta-1,3-diene?
The IUPAC name of 5-chloro-1,3-dimethylcyclopenta-1,3-diene (CID 174422418) is 5-chloro-1,3-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-chloro-1,3-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 5-chloro-1,3-dimethylcyclopenta-1,3-diene is CC1=CC(Cl)C(C)=C1.
What is the InChIKey of 5-chloro-1,3-dimethylcyclopenta-1,3-diene?
The InChIKey is LGSFGASBIATKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl/c1-5-3-6(2)7(8)4-5/h3-4,7H,1-2H3.
What are the key properties of 5-chloro-1,3-dimethylcyclopenta-1,3-diene?
5-chloro-1,3-dimethylcyclopenta-1,3-diene has a molecular weight of 128.60 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 174422418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).