(E)-3,4-dichlorohex-3-ene

C6H10Cl2 — CID 642202

IUPAC(E)-3,4-dichlorohex-3-ene
SMILESCC/C(Cl)=C(\Cl)CC
InChIInChI=1S/C6H10Cl2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3/b6-5+
InChIKeyTUOBBMXECBPVEP-AATRIKPKSA-N
MW153.05 g/mol
LogP3.50
Rot. Bonds2

About (E)-3,4-dichlorohex-3-ene

(E)-3,4-dichlorohex-3-ene (PubChem CID 642202) has the molecular formula C6H10Cl2 and a molecular weight of 153.05 g/mol. Its IUPAC name is (E)-3,4-dichlorohex-3-ene.

Molecular Properties

Compound Name(E)-3,4-dichlorohex-3-ene
PubChem CID642202
Molecular FormulaC6H10Cl2
Molecular Weight153.05 g/mol
Exact Mass152.02
IUPAC Name(E)-3,4-dichlorohex-3-ene
SMILESCC/C(Cl)=C(\Cl)CC
InChIInChI=1S/C6H10Cl2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3/b6-5+
InChIKeyTUOBBMXECBPVEP-AATRIKPKSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.05
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (E)-3,4-dichlorohex-3-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 (E)-3,4-dichlorohex-3-ene?
The IUPAC name of (E)-3,4-dichlorohex-3-ene (CID 642202) is (E)-3,4-dichlorohex-3-ene.
What is the SMILES notation for (E)-3,4-dichlorohex-3-ene?
The canonical SMILES for (E)-3,4-dichlorohex-3-ene is CC/C(Cl)=C(\Cl)CC.
What is the InChIKey of (E)-3,4-dichlorohex-3-ene?
The InChIKey is TUOBBMXECBPVEP-AATRIKPKSA-N. The full InChI is InChI=1S/C6H10Cl2/c1-3-5(7)6(8)4-2/h3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-3,4-dichlorohex-3-ene?
(E)-3,4-dichlorohex-3-ene has a molecular weight of 153.05 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-dichlorohex-3-ene is sourced from PubChem (CID 642202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).