bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol

C8H8O2 — CID 175365962

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol
SMILESOC=CO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H4O2/c1-2-6-4-3-5(1)6;3-1-2-4/h1-4H;1-4H
InChIKeyXUDDDJOZTNMXRZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP2.24
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol

bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol (PubChem CID 175365962) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol
PubChem CID175365962
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol
SMILESOC=CO.c1cc2ccc1-2
InChIInChI=1S/C6H4.C2H4O2/c1-2-6-4-3-5(1)6;3-1-2-4/h1-4H;1-4H
InChIKeyXUDDDJOZTNMXRZ-UHFFFAOYSA-N
XLogP2.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 19006641
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CID 19017831
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CID 19593149
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CID 19778502
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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol (CID 175365962) is bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol is OC=CO.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol?
The InChIKey is XUDDDJOZTNMXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H4O2/c1-2-6-4-3-5(1)6;3-1-2-4/h1-4H;1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol?
bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol has a molecular weight of 136.15 g/mol, XLogP of 2.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;ethene-1,2-diol is sourced from PubChem (CID 175365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).