bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid

C8H8O4 — CID 174597340

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid
SMILESO=C(CO)OO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H4O4/c1-2-6-4-3-5(1)6;3-1-2(4)6-5/h1-4H;3,5H,1H2
InChIKeyVJUBHSSUVXMSRZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.66
Rot. Bonds1

About bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid

bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid (PubChem CID 174597340) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid
PubChem CID174597340
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid
SMILESO=C(CO)OO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H4O4/c1-2-6-4-3-5(1)6;3-1-2(4)6-5/h1-4H;3,5H,1H2
InChIKeyVJUBHSSUVXMSRZ-UHFFFAOYSA-N
XLogP0.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-azabicyclo[2.2.0]hexa-1,3,5-triene;propaneperoxoic acid
CID 174849040
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
(2-hydroxyphenyl) 2-hydroxyacetate
CID 54356800
bicyclo[2.2.0]hexa-1,3,5-triene;oxalic acid
CID 174547158
[2-[4-[4-(2-dimethylsulfonioacetyl)phenyl]phenyl]-2-oxoethyl]-dimethylsulfanium
CID 3251030
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
1,1'-biphenyl;2-hydroxyacetamide
CID 174302760
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
(4-methylphenyl)sulfonyl 2-hydroxyacetate
CID 154101157
CID 175508289
CID 175508289
(4-pyridin-2-ylphenyl) 2-hydroxyacetate
CID 117051700

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid (CID 174597340) is bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid is O=C(CO)OO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid?
The InChIKey is VJUBHSSUVXMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H4O4/c1-2-6-4-3-5(1)6;3-1-2(4)6-5/h1-4H;3,5H,1H2.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid has a molecular weight of 168.15 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;2-hydroxyethaneperoxoic acid is sourced from PubChem (CID 174597340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).