4,5-dichlorooct-4-ene

C8H14Cl2 — CID 71381306

IUPAC4,5-dichlorooct-4-ene
SMILESCCCC(Cl)=C(Cl)CCC
InChIInChI=1S/C8H14Cl2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
InChIKeyWQMHZIQLWGMOTL-UHFFFAOYSA-N
MW181.11 g/mol
LogP4.28
Rot. Bonds4

About 4,5-dichlorooct-4-ene

4,5-dichlorooct-4-ene (PubChem CID 71381306) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 4,5-dichlorooct-4-ene.

Molecular Properties

Compound Name4,5-dichlorooct-4-ene
PubChem CID71381306
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name4,5-dichlorooct-4-ene
SMILESCCCC(Cl)=C(Cl)CCC
InChIInChI=1S/C8H14Cl2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
InChIKeyWQMHZIQLWGMOTL-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,5-dichlorooct-4-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 4,5-dichlorooct-4-ene?
The IUPAC name of 4,5-dichlorooct-4-ene (CID 71381306) is 4,5-dichlorooct-4-ene.
What is the SMILES notation for 4,5-dichlorooct-4-ene?
The canonical SMILES for 4,5-dichlorooct-4-ene is CCCC(Cl)=C(Cl)CCC.
What is the InChIKey of 4,5-dichlorooct-4-ene?
The InChIKey is WQMHZIQLWGMOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3.
What are the key properties of 4,5-dichlorooct-4-ene?
4,5-dichlorooct-4-ene has a molecular weight of 181.11 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorooct-4-ene is sourced from PubChem (CID 71381306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).