5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol

C8H6O3 — CID 141293698

IUPAC5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol
SMILESC=Cc1ccc(O)c2ooc12
InChIInChI=1S/C8H6O3/c1-2-5-3-4-6(9)8-7(5)10-11-8/h2-4,9H,1H2
InChIKeyHEJHGHRJHPCCRT-UHFFFAOYSA-N
MW150.13 g/mol
LogP2.37
Rot. Bonds1

About 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol

5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol (PubChem CID 141293698) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol
PubChem CID141293698
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol
SMILESC=Cc1ccc(O)c2ooc12
InChIInChI=1S/C8H6O3/c1-2-5-3-4-6(9)8-7(5)10-11-8/h2-4,9H,1H2
InChIKeyHEJHGHRJHPCCRT-UHFFFAOYSA-N
XLogP2.37
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
The IUPAC name of 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol (CID 141293698) is 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol.
What is the SMILES notation for 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
The canonical SMILES for 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol is C=Cc1ccc(O)c2ooc12.
What is the InChIKey of 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
The InChIKey is HEJHGHRJHPCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c1-2-5-3-4-6(9)8-7(5)10-11-8/h2-4,9H,1H2.
What are the key properties of 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol?
5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol has a molecular weight of 150.13 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-7,8-dioxabicyclo[4.2.0]octa-1,3,5-trien-2-ol is sourced from PubChem (CID 141293698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).