1,1,5-trichloropent-1-ene

C5H7Cl3 — CID 520282

IUPAC1,1,5-trichloropent-1-ene
SMILESClCCCC=C(Cl)Cl
InChIInChI=1S/C5H7Cl3/c6-4-2-1-3-5(7)8/h3H,1-2,4H2
InChIKeyWIBRQEFYLKNRTM-UHFFFAOYSA-N
MW173.47 g/mol
LogP3.32
Rot. Bonds3

About 1,1,5-trichloropent-1-ene

1,1,5-trichloropent-1-ene (PubChem CID 520282) has the molecular formula C5H7Cl3 and a molecular weight of 173.47 g/mol. Its IUPAC name is 1,1,5-trichloropent-1-ene.

Molecular Properties

Compound Name1,1,5-trichloropent-1-ene
PubChem CID520282
Molecular FormulaC5H7Cl3
Molecular Weight173.47 g/mol
Exact Mass171.96
IUPAC Name1,1,5-trichloropent-1-ene
SMILESClCCCC=C(Cl)Cl
InChIInChI=1S/C5H7Cl3/c6-4-2-1-3-5(7)8/h3H,1-2,4H2
InChIKeyWIBRQEFYLKNRTM-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,5-trichloropent-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 1,1,5-trichloropent-1-ene?
The IUPAC name of 1,1,5-trichloropent-1-ene (CID 520282) is 1,1,5-trichloropent-1-ene.
What is the SMILES notation for 1,1,5-trichloropent-1-ene?
The canonical SMILES for 1,1,5-trichloropent-1-ene is ClCCCC=C(Cl)Cl.
What is the InChIKey of 1,1,5-trichloropent-1-ene?
The InChIKey is WIBRQEFYLKNRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3/c6-4-2-1-3-5(7)8/h3H,1-2,4H2.
What are the key properties of 1,1,5-trichloropent-1-ene?
1,1,5-trichloropent-1-ene has a molecular weight of 173.47 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trichloropent-1-ene is sourced from PubChem (CID 520282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).