8-chloroocta-1,3-diene

C8H13Cl — CID 54565861

IUPAC8-chloroocta-1,3-diene
SMILESC=CC=CCCCCCl
InChIInChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-4H,1,5-8H2
InChIKeyZTTUKBZCSHLIFL-UHFFFAOYSA-N
MW144.64 g/mol
LogP3.14
Rot. Bonds5

About 8-chloroocta-1,3-diene

8-chloroocta-1,3-diene (PubChem CID 54565861) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 8-chloroocta-1,3-diene.

Molecular Properties

Compound Name8-chloroocta-1,3-diene
PubChem CID54565861
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name8-chloroocta-1,3-diene
SMILESC=CC=CCCCCCl
InChIInChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-4H,1,5-8H2
InChIKeyZTTUKBZCSHLIFL-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.14
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-chloroocta-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 8-chloroocta-1,3-diene?
The IUPAC name of 8-chloroocta-1,3-diene (CID 54565861) is 8-chloroocta-1,3-diene.
What is the SMILES notation for 8-chloroocta-1,3-diene?
The canonical SMILES for 8-chloroocta-1,3-diene is C=CC=CCCCCCl.
What is the InChIKey of 8-chloroocta-1,3-diene?
The InChIKey is ZTTUKBZCSHLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h2-4H,1,5-8H2.
What are the key properties of 8-chloroocta-1,3-diene?
8-chloroocta-1,3-diene has a molecular weight of 144.64 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroocta-1,3-diene is sourced from PubChem (CID 54565861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).