1,1-dichloro-2-hydroperoxyethene

C2H2Cl2O2 — CID 20741235

IUPAC1,1-dichloro-2-hydroperoxyethene
SMILESOOC=C(Cl)Cl
InChIInChI=1S/C2H2Cl2O2/c3-2(4)1-6-5/h1,5H
InChIKeyPHDQHTYKUMSENR-UHFFFAOYSA-N
MW128.94 g/mol
LogP1.75
Rot. Bonds1

About 1,1-dichloro-2-hydroperoxyethene

1,1-dichloro-2-hydroperoxyethene (PubChem CID 20741235) has the molecular formula C2H2Cl2O2 and a molecular weight of 128.94 g/mol. Its IUPAC name is 1,1-dichloro-2-hydroperoxyethene.

Molecular Properties

Compound Name1,1-dichloro-2-hydroperoxyethene
PubChem CID20741235
Molecular FormulaC2H2Cl2O2
Molecular Weight128.94 g/mol
Exact Mass127.94
IUPAC Name1,1-dichloro-2-hydroperoxyethene
SMILESOOC=C(Cl)Cl
InChIInChI=1S/C2H2Cl2O2/c3-2(4)1-6-5/h1,5H
InChIKeyPHDQHTYKUMSENR-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.94
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-hydroperoxyethene?
The IUPAC name of 1,1-dichloro-2-hydroperoxyethene (CID 20741235) is 1,1-dichloro-2-hydroperoxyethene.
What is the SMILES notation for 1,1-dichloro-2-hydroperoxyethene?
The canonical SMILES for 1,1-dichloro-2-hydroperoxyethene is OOC=C(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-hydroperoxyethene?
The InChIKey is PHDQHTYKUMSENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl2O2/c3-2(4)1-6-5/h1,5H.
What are the key properties of 1,1-dichloro-2-hydroperoxyethene?
1,1-dichloro-2-hydroperoxyethene has a molecular weight of 128.94 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-hydroperoxyethene is sourced from PubChem (CID 20741235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).