3-chloro-2,4-dimethylpenta-1,3-diene

C7H11Cl — CID 13275142

IUPAC3-chloro-2,4-dimethylpenta-1,3-diene
SMILESC=C(C)C(Cl)=C(C)C
InChIInChI=1S/C7H11Cl/c1-5(2)7(8)6(3)4/h1H2,2-4H3
InChIKeySRMNGQUCJJQZHP-UHFFFAOYSA-N
MW130.62 g/mol
LogP3.10
Rot. Bonds1

About 3-chloro-2,4-dimethylpenta-1,3-diene

3-chloro-2,4-dimethylpenta-1,3-diene (PubChem CID 13275142) has the molecular formula C7H11Cl and a molecular weight of 130.62 g/mol. Its IUPAC name is 3-chloro-2,4-dimethylpenta-1,3-diene.

Molecular Properties

Compound Name3-chloro-2,4-dimethylpenta-1,3-diene
PubChem CID13275142
Molecular FormulaC7H11Cl
Molecular Weight130.62 g/mol
Exact Mass130.05
IUPAC Name3-chloro-2,4-dimethylpenta-1,3-diene
SMILESC=C(C)C(Cl)=C(C)C
InChIInChI=1S/C7H11Cl/c1-5(2)7(8)6(3)4/h1H2,2-4H3
InChIKeySRMNGQUCJJQZHP-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.62
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-chloro-2,4-dimethylpenta-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 3-chloro-2,4-dimethylpenta-1,3-diene?
The IUPAC name of 3-chloro-2,4-dimethylpenta-1,3-diene (CID 13275142) is 3-chloro-2,4-dimethylpenta-1,3-diene.
What is the SMILES notation for 3-chloro-2,4-dimethylpenta-1,3-diene?
The canonical SMILES for 3-chloro-2,4-dimethylpenta-1,3-diene is C=C(C)C(Cl)=C(C)C.
What is the InChIKey of 3-chloro-2,4-dimethylpenta-1,3-diene?
The InChIKey is SRMNGQUCJJQZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl/c1-5(2)7(8)6(3)4/h1H2,2-4H3.
What are the key properties of 3-chloro-2,4-dimethylpenta-1,3-diene?
3-chloro-2,4-dimethylpenta-1,3-diene has a molecular weight of 130.62 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethylpenta-1,3-diene is sourced from PubChem (CID 13275142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).