1,1-dichloro-1-hydroperoxyethane

C2H4Cl2O2 — CID 13297790

IUPAC1,1-dichloro-1-hydroperoxyethane
SMILESCC(Cl)(Cl)OO
InChIInChI=1S/C2H4Cl2O2/c1-2(3,4)6-5/h5H,1H3
InChIKeyYUVMNUKOYYKKNS-UHFFFAOYSA-N
MW130.96 g/mol
LogP1.63
Rot. Bonds1

About 1,1-dichloro-1-hydroperoxyethane

1,1-dichloro-1-hydroperoxyethane (PubChem CID 13297790) has the molecular formula C2H4Cl2O2 and a molecular weight of 130.96 g/mol. Its IUPAC name is 1,1-dichloro-1-hydroperoxyethane.

Molecular Properties

Compound Name1,1-dichloro-1-hydroperoxyethane
PubChem CID13297790
Molecular FormulaC2H4Cl2O2
Molecular Weight130.96 g/mol
Exact Mass129.96
IUPAC Name1,1-dichloro-1-hydroperoxyethane
SMILESCC(Cl)(Cl)OO
InChIInChI=1S/C2H4Cl2O2/c1-2(3,4)6-5/h5H,1H3
InChIKeyYUVMNUKOYYKKNS-UHFFFAOYSA-N
XLogP1.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.96
LogP ≤ 51.63
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'}

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Related Compounds

2-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
1,1-dichloroethoxysilane
CID 123382571
1,1-dichloro-1-sulfanyloxyethane
CID 21115275
1,1-dichloro-1-(dihydroxyamino)oxyethane
CID 88562534
nitrous acid;1,1,1-trichloroethane
CID 174484765
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
2-chloro-2-methylpropaneperoxoic acid
CID 21313526
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
CID 176988687
potassium;2-hydroperoxy-2-methylpropane;hypobromite
CID 157454596
CID 155675070
CID 155675070
1,1,2-trichloropropane-1,2-diol
CID 87301844
2,2-dichloropropane;zinc
CID 162195997

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-hydroperoxyethane?
The IUPAC name of 1,1-dichloro-1-hydroperoxyethane (CID 13297790) is 1,1-dichloro-1-hydroperoxyethane.
What is the SMILES notation for 1,1-dichloro-1-hydroperoxyethane?
The canonical SMILES for 1,1-dichloro-1-hydroperoxyethane is CC(Cl)(Cl)OO.
What is the InChIKey of 1,1-dichloro-1-hydroperoxyethane?
The InChIKey is YUVMNUKOYYKKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O2/c1-2(3,4)6-5/h5H,1H3.
What are the key properties of 1,1-dichloro-1-hydroperoxyethane?
1,1-dichloro-1-hydroperoxyethane has a molecular weight of 130.96 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-hydroperoxyethane is sourced from PubChem (CID 13297790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).