(2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene

C6H6Cl4 — CID 21454578

IUPAC(2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene
SMILESClC/C=C(Cl)/C(Cl)=C/CCl
InChIInChI=1S/C6H6Cl4/c7-3-1-5(9)6(10)2-4-8/h1-2H,3-4H2/b5-1-,6-2-
InChIKeyKENIOSNCUYHRRA-IOBHVTPZSA-N
MW219.93 g/mol
LogP3.71
Rot. Bonds3

About (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene

(2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene (PubChem CID 21454578) has the molecular formula C6H6Cl4 and a molecular weight of 219.93 g/mol. Its IUPAC name is (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene
PubChem CID21454578
Molecular FormulaC6H6Cl4
Molecular Weight219.93 g/mol
Exact Mass217.92
IUPAC Name(2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene
SMILESClC/C=C(Cl)/C(Cl)=C/CCl
InChIInChI=1S/C6H6Cl4/c7-3-1-5(9)6(10)2-4-8/h1-2H,3-4H2/b5-1-,6-2-
InChIKeyKENIOSNCUYHRRA-IOBHVTPZSA-N
XLogP3.71
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 ≤ 53.71
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 (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene?
The IUPAC name of (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene (CID 21454578) is (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene is ClC/C=C(Cl)/C(Cl)=C/CCl.
What is the InChIKey of (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene?
The InChIKey is KENIOSNCUYHRRA-IOBHVTPZSA-N. The full InChI is InChI=1S/C6H6Cl4/c7-3-1-5(9)6(10)2-4-8/h1-2H,3-4H2/b5-1-,6-2-.
What are the key properties of (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene?
(2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene has a molecular weight of 219.93 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,3,4,6-tetrachlorohexa-2,4-diene is sourced from PubChem (CID 21454578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).