(3R)-3,6-dihydroxycyclohexane-1,2-dione

C6H8O4 — CID 123290269

IUPAC(3R)-3,6-dihydroxycyclohexane-1,2-dione
SMILESO=C1C(=O)[C@H](O)CCC1O
InChIInChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3-4,7-8H,1-2H2/t3-,4?/m1/s1
InChIKeySIUMBOSTVZXUPX-SYPWQXSBSA-N
MW144.13 g/mol
LogP-1.36
Rot. Bonds

About (3R)-3,6-dihydroxycyclohexane-1,2-dione

(3R)-3,6-dihydroxycyclohexane-1,2-dione (PubChem CID 123290269) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3R)-3,6-dihydroxycyclohexane-1,2-dione.

Molecular Properties

Compound Name(3R)-3,6-dihydroxycyclohexane-1,2-dione
PubChem CID123290269
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name(3R)-3,6-dihydroxycyclohexane-1,2-dione
SMILESO=C1C(=O)[C@H](O)CCC1O
InChIInChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3-4,7-8H,1-2H2/t3-,4?/m1/s1
InChIKeySIUMBOSTVZXUPX-SYPWQXSBSA-N
XLogP-1.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxycyclodecane-1,2-dione
CID 130126471
4-hydroxyazepane-2,3-dione
CID 117273468
4,6-dihydroxypiperidine-2,3-dione
CID 90948987
(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
CID 55287608
(2S,5R)-5-hydroxy-6-oxopiperidine-2-carboxylic acid
CID 68848721
7-hydroxybicyclo[3.2.1]octan-6-one
CID 15203399
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
(2R)-2-hydroxy-2,3-dihydroinden-1-one
CID 11137320
5-ethyl-2-hydroxycyclohexan-1-one
CID 89053782
(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 93493266
(3R)-3-hydroxyazetidin-2-one
CID 97184618
4-hydroxyazetidine-2,3-dione
CID 56621119

Frequently Asked Questions

What is the IUPAC name of (3R)-3,6-dihydroxycyclohexane-1,2-dione?
The IUPAC name of (3R)-3,6-dihydroxycyclohexane-1,2-dione (CID 123290269) is (3R)-3,6-dihydroxycyclohexane-1,2-dione.
What is the SMILES notation for (3R)-3,6-dihydroxycyclohexane-1,2-dione?
The canonical SMILES for (3R)-3,6-dihydroxycyclohexane-1,2-dione is O=C1C(=O)[C@H](O)CCC1O.
What is the InChIKey of (3R)-3,6-dihydroxycyclohexane-1,2-dione?
The InChIKey is SIUMBOSTVZXUPX-SYPWQXSBSA-N. The full InChI is InChI=1S/C6H8O4/c7-3-1-2-4(8)6(10)5(3)9/h3-4,7-8H,1-2H2/t3-,4?/m1/s1.
What are the key properties of (3R)-3,6-dihydroxycyclohexane-1,2-dione?
(3R)-3,6-dihydroxycyclohexane-1,2-dione has a molecular weight of 144.13 g/mol, XLogP of -1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,6-dihydroxycyclohexane-1,2-dione is sourced from PubChem (CID 123290269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).