carbonic acid;1,1-dichloro-2-hydroperoxyethane

C4H8Cl2O8 — CID 88516032

IUPACcarbonic acid;1,1-dichloro-2-hydroperoxyethane
SMILESO=C(O)O.O=C(O)O.OOCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O2.2CH2O3/c3-2(4)1-6-5;2*2-1(3)4/h2,5H,1H2;2*(H2,2,3,4)
InChIKeyAVCJAKFZRHIUBB-UHFFFAOYSA-N
MW255.01 g/mol
LogP1.72
Rot. Bonds2

About carbonic acid;1,1-dichloro-2-hydroperoxyethane

carbonic acid;1,1-dichloro-2-hydroperoxyethane (PubChem CID 88516032) has the molecular formula C4H8Cl2O8 and a molecular weight of 255.01 g/mol. Its IUPAC name is carbonic acid;1,1-dichloro-2-hydroperoxyethane.

Molecular Properties

Compound Namecarbonic acid;1,1-dichloro-2-hydroperoxyethane
PubChem CID88516032
Molecular FormulaC4H8Cl2O8
Molecular Weight255.01 g/mol
Exact Mass253.96
IUPAC Namecarbonic acid;1,1-dichloro-2-hydroperoxyethane
SMILESO=C(O)O.O=C(O)O.OOCC(Cl)Cl
InChIInChI=1S/C2H4Cl2O2.2CH2O3/c3-2(4)1-6-5;2*2-1(3)4/h2,5H,1H2;2*(H2,2,3,4)
InChIKeyAVCJAKFZRHIUBB-UHFFFAOYSA-N
XLogP1.72
TPSA144.52 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.01
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

1,1-dichloro-2-hydroperoxyethane
CID 71366737
carboxyoxy 2,2-dichloroethyl carbonate
CID 88516033
carbonic acid;ruthenium
CID 87059075
potassium;carbonic acid;chloroform;hydride
CID 173067298
CID 87914499
CID 87914499
carbonic acid;dichloromethane
CID 87514103
2,2-dichloroethoxymethanol
CID 71367680
2,2-dichloroethyl 2-phenylacetate
CID 102088308
bis(1-hydroperoxypropan-2-yl) carbonate
CID 174639053
2-chloro-5-oxopentanoic acid
CID 54235519
carbonic acid;1-hydroperoxybutane;3-(hydroperoxymethyl)heptane
CID 173419289
carbonic acid;bis((1-hydroperoxy-4-methylpentan-2-yl)cyclopentane)
CID 173414586

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1,1-dichloro-2-hydroperoxyethane?
The IUPAC name of carbonic acid;1,1-dichloro-2-hydroperoxyethane (CID 88516032) is carbonic acid;1,1-dichloro-2-hydroperoxyethane.
What is the SMILES notation for carbonic acid;1,1-dichloro-2-hydroperoxyethane?
The canonical SMILES for carbonic acid;1,1-dichloro-2-hydroperoxyethane is O=C(O)O.O=C(O)O.OOCC(Cl)Cl.
What is the InChIKey of carbonic acid;1,1-dichloro-2-hydroperoxyethane?
The InChIKey is AVCJAKFZRHIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2O2.2CH2O3/c3-2(4)1-6-5;2*2-1(3)4/h2,5H,1H2;2*(H2,2,3,4).
What are the key properties of carbonic acid;1,1-dichloro-2-hydroperoxyethane?
carbonic acid;1,1-dichloro-2-hydroperoxyethane has a molecular weight of 255.01 g/mol, XLogP of 1.72, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1,1-dichloro-2-hydroperoxyethane is sourced from PubChem (CID 88516032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).