(6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one

C6H6O4 — CID 11987788

IUPAC(6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=C(O)C(O)=C[C@@H]1O
InChIInChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,7-8,10H/t3-/m0/s1
InChIKeyQQVBDBAMIQSURO-VKHMYHEASA-N
MW142.11 g/mol
LogP-0.19
Rot. Bonds

About (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one

(6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one (PubChem CID 11987788) has the molecular formula C6H6O4 and a molecular weight of 142.11 g/mol. Its IUPAC name is (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one
PubChem CID11987788
Molecular FormulaC6H6O4
Molecular Weight142.11 g/mol
Exact Mass142.03
IUPAC Name(6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=C(O)C(O)=C[C@@H]1O
InChIInChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,7-8,10H/t3-/m0/s1
InChIKeyQQVBDBAMIQSURO-VKHMYHEASA-N
XLogP-0.19
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one (CID 11987788) is (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one is O=C1C=C(O)C(O)=C[C@@H]1O.
What is the InChIKey of (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one?
The InChIKey is QQVBDBAMIQSURO-VKHMYHEASA-N. The full InChI is InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,7-8,10H/t3-/m0/s1.
What are the key properties of (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one?
(6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one has a molecular weight of 142.11 g/mol, XLogP of -0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3,4,6-trihydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 11987788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).