cyclohexa-2,4-diene-1,1,3,5-tetrol

C6H8O4 — CID 69275617

IUPACcyclohexa-2,4-diene-1,1,3,5-tetrol
SMILESOC1=CC(O)(O)CC(O)=C1
InChIInChI=1S/C6H8O4/c7-4-1-5(8)3-6(9,10)2-4/h1-2,7-10H,3H2
InChIKeyGCLDCIGYQLJULQ-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.05
Rot. Bonds

About cyclohexa-2,4-diene-1,1,3,5-tetrol

cyclohexa-2,4-diene-1,1,3,5-tetrol (PubChem CID 69275617) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,1,3,5-tetrol.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,1,3,5-tetrol
PubChem CID69275617
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namecyclohexa-2,4-diene-1,1,3,5-tetrol
SMILESOC1=CC(O)(O)CC(O)=C1
InChIInChI=1S/C6H8O4/c7-4-1-5(8)3-6(9,10)2-4/h1-2,7-10H,3H2
InChIKeyGCLDCIGYQLJULQ-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-diene-1,1,3,5-tetrol?
The IUPAC name of cyclohexa-2,4-diene-1,1,3,5-tetrol (CID 69275617) is cyclohexa-2,4-diene-1,1,3,5-tetrol.
What is the SMILES notation for cyclohexa-2,4-diene-1,1,3,5-tetrol?
The canonical SMILES for cyclohexa-2,4-diene-1,1,3,5-tetrol is OC1=CC(O)(O)CC(O)=C1.
What is the InChIKey of cyclohexa-2,4-diene-1,1,3,5-tetrol?
The InChIKey is GCLDCIGYQLJULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c7-4-1-5(8)3-6(9,10)2-4/h1-2,7-10H,3H2.
What are the key properties of cyclohexa-2,4-diene-1,1,3,5-tetrol?
cyclohexa-2,4-diene-1,1,3,5-tetrol has a molecular weight of 144.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,1,3,5-tetrol is sourced from PubChem (CID 69275617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).