Dichloro vinyl ketone

C5H2Cl4O — CID 20236245

IUPAC(1Z,4Z)-1,2,4,5-tetrachloropenta-1,4-dien-3-one
SMILESC(=C(\Cl)/C(=O)/C(=C/Cl)/Cl)\Cl
InChIInChI=1S/C5H2Cl4O/c6-1-3(8)5(10)4(9)2-7/h1-2H/b3-1-,4-2-
InChIKeyCSIIWMPQOKLEMP-CCAGOZQPSA-N
MW219.90 g/mol
LogP3.40
Rot. Bonds2

About Dichloro vinyl ketone

Dichloro vinyl ketone (PubChem CID 20236245) has the molecular formula C5H2Cl4O and a molecular weight of 219.90 g/mol. Its IUPAC name is (1Z,4Z)-1,2,4,5-tetrachloropenta-1,4-dien-3-one.

Molecular Properties

Compound NameDichloro vinyl ketone
PubChem CID20236245
Molecular FormulaC5H2Cl4O
Molecular Weight219.90 g/mol
Exact Mass219.88
IUPAC Name(1Z,4Z)-1,2,4,5-tetrachloropenta-1,4-dien-3-one
SMILESC(=C(\Cl)/C(=O)/C(=C/Cl)/Cl)\Cl
InChIInChI=1S/C5H2Cl4O/c6-1-3(8)5(10)4(9)2-7/h1-2H/b3-1-,4-2-
InChIKeyCSIIWMPQOKLEMP-CCAGOZQPSA-N
XLogP3.40
TPSA17.10 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity174

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.90
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of Dichloro vinyl ketone?
The IUPAC name of Dichloro vinyl ketone (CID 20236245) is (1Z,4Z)-1,2,4,5-tetrachloropenta-1,4-dien-3-one.
What is the SMILES notation for Dichloro vinyl ketone?
The canonical SMILES for Dichloro vinyl ketone is C(=C(\Cl)/C(=O)/C(=C/Cl)/Cl)\Cl.
What is the InChIKey of Dichloro vinyl ketone?
The InChIKey is CSIIWMPQOKLEMP-CCAGOZQPSA-N. The full InChI is InChI=1S/C5H2Cl4O/c6-1-3(8)5(10)4(9)2-7/h1-2H/b3-1-,4-2-.
What are the key properties of Dichloro vinyl ketone?
Dichloro vinyl ketone has a molecular weight of 219.90 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Dichloro vinyl ketone is sourced from PubChem (CID 20236245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).