5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol

C8H8O4 — CID 54117195

IUPAC5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol
SMILESC=c1c(O)c(O)c(O)c(O)c1=C
InChIInChI=1S/C8H8O4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h9-12H,1-2H2
InChIKeyNLDOKFRFHHNRGZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.67
Rot. Bonds

About 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol

5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol (PubChem CID 54117195) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol.

Molecular Properties

Compound Name5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol
PubChem CID54117195
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol
SMILESC=c1c(O)c(O)c(O)c(O)c1=C
InChIInChI=1S/C8H8O4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h9-12H,1-2H2
InChIKeyNLDOKFRFHHNRGZ-UHFFFAOYSA-N
XLogP-0.67
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol?
The IUPAC name of 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol (CID 54117195) is 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol.
What is the SMILES notation for 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol?
The canonical SMILES for 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol is C=c1c(O)c(O)c(O)c(O)c1=C.
What is the InChIKey of 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol?
The InChIKey is NLDOKFRFHHNRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-3-4(2)6(10)8(12)7(11)5(3)9/h9-12H,1-2H2.
What are the key properties of 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol?
5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol has a molecular weight of 168.15 g/mol, XLogP of -0.67, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol is sourced from PubChem (CID 54117195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).