cyclohexa-2,6-diene-1,2,4,5-tetrol

C6H8O4 — CID 147754023

IUPACcyclohexa-2,6-diene-1,2,4,5-tetrol
SMILESOC1=CC(O)C(O)C=C1O
InChIInChI=1S/C6H8O4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,5,7-10H
InChIKeyHCTKKNGBJNQYFO-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.39
Rot. Bonds

About cyclohexa-2,6-diene-1,2,4,5-tetrol

cyclohexa-2,6-diene-1,2,4,5-tetrol (PubChem CID 147754023) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is cyclohexa-2,6-diene-1,2,4,5-tetrol.

Molecular Properties

Compound Namecyclohexa-2,6-diene-1,2,4,5-tetrol
PubChem CID147754023
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namecyclohexa-2,6-diene-1,2,4,5-tetrol
SMILESOC1=CC(O)C(O)C=C1O
InChIInChI=1S/C6H8O4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,5,7-10H
InChIKeyHCTKKNGBJNQYFO-UHFFFAOYSA-N
XLogP-0.39
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,6-diene-1,2,4,5-tetrol?
The IUPAC name of cyclohexa-2,6-diene-1,2,4,5-tetrol (CID 147754023) is cyclohexa-2,6-diene-1,2,4,5-tetrol.
What is the SMILES notation for cyclohexa-2,6-diene-1,2,4,5-tetrol?
The canonical SMILES for cyclohexa-2,6-diene-1,2,4,5-tetrol is OC1=CC(O)C(O)C=C1O.
What is the InChIKey of cyclohexa-2,6-diene-1,2,4,5-tetrol?
The InChIKey is HCTKKNGBJNQYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,5,7-10H.
What are the key properties of cyclohexa-2,6-diene-1,2,4,5-tetrol?
cyclohexa-2,6-diene-1,2,4,5-tetrol has a molecular weight of 144.13 g/mol, XLogP of -0.39, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,6-diene-1,2,4,5-tetrol is sourced from PubChem (CID 147754023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).