1,3,6,6-tetrachlorohexa-1,3-diene

C6H6Cl4 — CID 174654583

IUPAC1,3,6,6-tetrachlorohexa-1,3-diene
SMILESClC=CC(Cl)=CCC(Cl)Cl
InChIInChI=1S/C6H6Cl4/c7-4-3-5(8)1-2-6(9)10/h1,3-4,6H,2H2
InChIKeyOKADNSZCIGQRFF-UHFFFAOYSA-N
MW219.93 g/mol
LogP4.06
Rot. Bonds3

About 1,3,6,6-tetrachlorohexa-1,3-diene

1,3,6,6-tetrachlorohexa-1,3-diene (PubChem CID 174654583) has the molecular formula C6H6Cl4 and a molecular weight of 219.93 g/mol. Its IUPAC name is 1,3,6,6-tetrachlorohexa-1,3-diene.

Molecular Properties

Compound Name1,3,6,6-tetrachlorohexa-1,3-diene
PubChem CID174654583
Molecular FormulaC6H6Cl4
Molecular Weight219.93 g/mol
Exact Mass217.92
IUPAC Name1,3,6,6-tetrachlorohexa-1,3-diene
SMILESClC=CC(Cl)=CCC(Cl)Cl
InChIInChI=1S/C6H6Cl4/c7-4-3-5(8)1-2-6(9)10/h1,3-4,6H,2H2
InChIKeyOKADNSZCIGQRFF-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.93
LogP ≤ 54.06
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 1,3,6,6-tetrachlorohexa-1,3-diene?
The IUPAC name of 1,3,6,6-tetrachlorohexa-1,3-diene (CID 174654583) is 1,3,6,6-tetrachlorohexa-1,3-diene.
What is the SMILES notation for 1,3,6,6-tetrachlorohexa-1,3-diene?
The canonical SMILES for 1,3,6,6-tetrachlorohexa-1,3-diene is ClC=CC(Cl)=CCC(Cl)Cl.
What is the InChIKey of 1,3,6,6-tetrachlorohexa-1,3-diene?
The InChIKey is OKADNSZCIGQRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl4/c7-4-3-5(8)1-2-6(9)10/h1,3-4,6H,2H2.
What are the key properties of 1,3,6,6-tetrachlorohexa-1,3-diene?
1,3,6,6-tetrachlorohexa-1,3-diene has a molecular weight of 219.93 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,6-tetrachlorohexa-1,3-diene is sourced from PubChem (CID 174654583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).