2,5-dichloropent-1-ene

C5H8Cl2 — CID 13396236

IUPAC2,5-dichloropent-1-ene
SMILESC=C(Cl)CCCCl
InChIInChI=1S/C5H8Cl2/c1-5(7)3-2-4-6/h1-4H2
InChIKeyUSNTWHNVOCFREU-UHFFFAOYSA-N
MW139.03 g/mol
LogP2.76
Rot. Bonds3

About 2,5-dichloropent-1-ene

2,5-dichloropent-1-ene (PubChem CID 13396236) has the molecular formula C5H8Cl2 and a molecular weight of 139.03 g/mol. Its IUPAC name is 2,5-dichloropent-1-ene.

Molecular Properties

Compound Name2,5-dichloropent-1-ene
PubChem CID13396236
Molecular FormulaC5H8Cl2
Molecular Weight139.03 g/mol
Exact Mass138.00
IUPAC Name2,5-dichloropent-1-ene
SMILESC=C(Cl)CCCCl
InChIInChI=1S/C5H8Cl2/c1-5(7)3-2-4-6/h1-4H2
InChIKeyUSNTWHNVOCFREU-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.03
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,5-dichloropent-1-ene 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 2,5-dichloropent-1-ene?
The IUPAC name of 2,5-dichloropent-1-ene (CID 13396236) is 2,5-dichloropent-1-ene.
What is the SMILES notation for 2,5-dichloropent-1-ene?
The canonical SMILES for 2,5-dichloropent-1-ene is C=C(Cl)CCCCl.
What is the InChIKey of 2,5-dichloropent-1-ene?
The InChIKey is USNTWHNVOCFREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Cl2/c1-5(7)3-2-4-6/h1-4H2.
What are the key properties of 2,5-dichloropent-1-ene?
2,5-dichloropent-1-ene has a molecular weight of 139.03 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloropent-1-ene is sourced from PubChem (CID 13396236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).