(3Z,5E)-1,8-dichloroocta-3,5-diene

C8H12Cl2 — CID 54608441

IUPAC(3Z,5E)-1,8-dichloroocta-3,5-diene
SMILESClCC/C=C\C=C\CCCl
InChIInChI=1S/C8H12Cl2/c9-7-5-3-1-2-4-6-8-10/h1-4H,5-8H2/b3-1-,4-2+
InChIKeyOBEMTTVLQFDSPD-HSFFGMMNSA-N
MW179.09 g/mol
LogP3.36
Rot. Bonds5

About (3Z,5E)-1,8-dichloroocta-3,5-diene

(3Z,5E)-1,8-dichloroocta-3,5-diene (PubChem CID 54608441) has the molecular formula C8H12Cl2 and a molecular weight of 179.09 g/mol. Its IUPAC name is (3Z,5E)-1,8-dichloroocta-3,5-diene.

Molecular Properties

Compound Name(3Z,5E)-1,8-dichloroocta-3,5-diene
PubChem CID54608441
Molecular FormulaC8H12Cl2
Molecular Weight179.09 g/mol
Exact Mass178.03
IUPAC Name(3Z,5E)-1,8-dichloroocta-3,5-diene
SMILESClCC/C=C\C=C\CCCl
InChIInChI=1S/C8H12Cl2/c9-7-5-3-1-2-4-6-8-10/h1-4H,5-8H2/b3-1-,4-2+
InChIKeyOBEMTTVLQFDSPD-HSFFGMMNSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 53.36
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 (3Z,5E)-1,8-dichloroocta-3,5-diene?
The IUPAC name of (3Z,5E)-1,8-dichloroocta-3,5-diene (CID 54608441) is (3Z,5E)-1,8-dichloroocta-3,5-diene.
What is the SMILES notation for (3Z,5E)-1,8-dichloroocta-3,5-diene?
The canonical SMILES for (3Z,5E)-1,8-dichloroocta-3,5-diene is ClCC/C=C\C=C\CCCl.
What is the InChIKey of (3Z,5E)-1,8-dichloroocta-3,5-diene?
The InChIKey is OBEMTTVLQFDSPD-HSFFGMMNSA-N. The full InChI is InChI=1S/C8H12Cl2/c9-7-5-3-1-2-4-6-8-10/h1-4H,5-8H2/b3-1-,4-2+.
What are the key properties of (3Z,5E)-1,8-dichloroocta-3,5-diene?
(3Z,5E)-1,8-dichloroocta-3,5-diene has a molecular weight of 179.09 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-1,8-dichloroocta-3,5-diene is sourced from PubChem (CID 54608441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).