1,1-dichloro-2-hydroperoxyethane

C2H4Cl2O2 — CID 71366737

IUPAC1,1-dichloro-2-hydroperoxyethane
SMILESOOCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O2/c3-2(4)1-6-5/h2,5H,1H2
InChIKeyGJBKLBBJOKITMY-UHFFFAOYSA-N
MW130.96 g/mol
LogP1.28
Rot. Bonds2

About 1,1-dichloro-2-hydroperoxyethane

1,1-dichloro-2-hydroperoxyethane (PubChem CID 71366737) has the molecular formula C2H4Cl2O2 and a molecular weight of 130.96 g/mol. Its IUPAC name is 1,1-dichloro-2-hydroperoxyethane.

Molecular Properties

Compound Name1,1-dichloro-2-hydroperoxyethane
PubChem CID71366737
Molecular FormulaC2H4Cl2O2
Molecular Weight130.96 g/mol
Exact Mass129.96
IUPAC Name1,1-dichloro-2-hydroperoxyethane
SMILESOOCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O2/c3-2(4)1-6-5/h2,5H,1H2
InChIKeyGJBKLBBJOKITMY-UHFFFAOYSA-N
XLogP1.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.96
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1,1-dichloro-2-hydroperoxyethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonic acid;1,1-dichloro-2-hydroperoxyethane
CID 88516032
2,2-dichloroethoxymethanol
CID 71367680
CID 18767434
CID 18767434
1-amino-2-hydroperoxyethanol
CID 173374285
(2S,3S)-1-hydroperoxy-2,3-dimethylpentane
CID 59874869
3-(hydroperoxymethyl)pentane-2,4-diol
CID 151679348
1,4-dihydroperoxybutan-2-ol
CID 57220636
1,2-dihydroperoxybutane
CID 174924928
1,1,1-trichloro-2-(2,2-dichloroethoxy)ethane
CID 59653290
carboxyoxy 2,2-dichloroethyl carbonate
CID 88516033
azane;2,2-dichloroethanol
CID 87173184
1,2-dihydroperoxyethyl-hydroxy-oxophosphanium
CID 90440402

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2-hydroperoxyethane?
The IUPAC name of 1,1-dichloro-2-hydroperoxyethane (CID 71366737) is 1,1-dichloro-2-hydroperoxyethane.
What is the SMILES notation for 1,1-dichloro-2-hydroperoxyethane?
The canonical SMILES for 1,1-dichloro-2-hydroperoxyethane is OOCC(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2-hydroperoxyethane?
The InChIKey is GJBKLBBJOKITMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O2/c3-2(4)1-6-5/h2,5H,1H2.
What are the key properties of 1,1-dichloro-2-hydroperoxyethane?
1,1-dichloro-2-hydroperoxyethane has a molecular weight of 130.96 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-hydroperoxyethane is sourced from PubChem (CID 71366737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).