3,4,5-trichloropenta-1,3-diene

C5H5Cl3 — CID 174775530

IUPAC3,4,5-trichloropenta-1,3-diene
SMILESC=CC(Cl)=C(Cl)CCl
InChIInChI=1S/C5H5Cl3/c1-2-4(7)5(8)3-6/h2H,1,3H2
InChIKeyOLTPKYOANSYLGH-UHFFFAOYSA-N
MW171.45 g/mol
LogP3.10
Rot. Bonds2

About 3,4,5-trichloropenta-1,3-diene

3,4,5-trichloropenta-1,3-diene (PubChem CID 174775530) has the molecular formula C5H5Cl3 and a molecular weight of 171.45 g/mol. Its IUPAC name is 3,4,5-trichloropenta-1,3-diene.

Molecular Properties

Compound Name3,4,5-trichloropenta-1,3-diene
PubChem CID174775530
Molecular FormulaC5H5Cl3
Molecular Weight171.45 g/mol
Exact Mass169.95
IUPAC Name3,4,5-trichloropenta-1,3-diene
SMILESC=CC(Cl)=C(Cl)CCl
InChIInChI=1S/C5H5Cl3/c1-2-4(7)5(8)3-6/h2H,1,3H2
InChIKeyOLTPKYOANSYLGH-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloropenta-1,3-diene?
The IUPAC name of 3,4,5-trichloropenta-1,3-diene (CID 174775530) is 3,4,5-trichloropenta-1,3-diene.
What is the SMILES notation for 3,4,5-trichloropenta-1,3-diene?
The canonical SMILES for 3,4,5-trichloropenta-1,3-diene is C=CC(Cl)=C(Cl)CCl.
What is the InChIKey of 3,4,5-trichloropenta-1,3-diene?
The InChIKey is OLTPKYOANSYLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl3/c1-2-4(7)5(8)3-6/h2H,1,3H2.
What are the key properties of 3,4,5-trichloropenta-1,3-diene?
3,4,5-trichloropenta-1,3-diene has a molecular weight of 171.45 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloropenta-1,3-diene is sourced from PubChem (CID 174775530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).