(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione

C6H6O4 — CID 89001782

IUPAC(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
SMILESO=C1C=CC(=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H/t5-,6-/m1/s1
InChIKeyKGAUAKJVBKFEJK-PHDIDXHHSA-N
MW142.11 g/mol
LogP-1.58
Rot. Bonds

About (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione

(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione (PubChem CID 89001782) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
PubChem CID89001782
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione
SMILESO=C1C=CC(=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H/t5-,6-/m1/s1
InChIKeyKGAUAKJVBKFEJK-PHDIDXHHSA-N
XLogP-1.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione?
The IUPAC name of (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione (CID 89001782) is (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione.
What is the SMILES notation for (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione?
The canonical SMILES for (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione is O=C1C=CC(=O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione?
The InChIKey is KGAUAKJVBKFEJK-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H6O4/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H/t5-,6-/m1/s1.
What are the key properties of (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione?
(5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione has a molecular weight of 142.11 g/mol, XLogP of -1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dihydroxycyclohex-2-ene-1,4-dione is sourced from PubChem (CID 89001782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).