(3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione

C8H6O6 — CID 53384481

IUPAC(3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione
SMILESO=C1C[C@@H]([C@H]2CC(=O)OC2=O)C(=O)O1
InChIInChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2/t3-,4+
InChIKeyOLQWMCSSZKNOLQ-ZXZARUISSA-N
MW198.13 g/mol
LogP-0.83
Rot. Bonds1

About (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione

(3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione (PubChem CID 53384481) has the molecular formula C8H6O6 and a molecular weight of 198.13 g/mol. Its IUPAC name is (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione
PubChem CID53384481
Molecular FormulaC8H6O6
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name(3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione
SMILESO=C1C[C@@H]([C@H]2CC(=O)OC2=O)C(=O)O1
InChIInChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2/t3-,4+
InChIKeyOLQWMCSSZKNOLQ-ZXZARUISSA-N
XLogP-0.83
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-Cyclobutanetetracarboxylic dianhydride
CID 107280
[3,3'-Bifuran]-2,2',5,5'-tetrone, tetrahydro-
CID 107298
3-(2-Oxooxolan-3-yl)oxolan-2-one
CID 230908
2-(2,5-Dioxooxolan-3-yl)butanedioic acid
CID 20334319
3-Methyl-4-(4-methyl-2-oxooxolan-3-yl)oxolane-2,5-dione
CID 22982291
Dimethyl 2-(2,5-dioxooxolan-3-yl)butanedioate
CID 23399209
3-(2,5-Dioxooxolan-3-yl)-4-methyloxolane-2,5-dione
CID 53961234
(2S)-2-[(3R)-2,5-dioxooxolan-3-yl]butanedioic acid
CID 54154717
3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione
CID 54156817
3-[(2,5-Dioxooxolan-3-yl)methyl]oxolane-2,5-dione
CID 54165498
3-Methyl-4-(4-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
CID 57661123
3-Methyl-3-(3-methyl-2,5-dioxooxolan-3-yl)oxolane-2,5-dione
CID 59704221

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione?
The IUPAC name of (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione (CID 53384481) is (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione.
What is the SMILES notation for (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione?
The canonical SMILES for (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione is O=C1C[C@@H]([C@H]2CC(=O)OC2=O)C(=O)O1.
What is the InChIKey of (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione?
The InChIKey is OLQWMCSSZKNOLQ-ZXZARUISSA-N. The full InChI is InChI=1S/C8H6O6/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h3-4H,1-2H2/t3-,4+.
What are the key properties of (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione?
(3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione has a molecular weight of 198.13 g/mol, XLogP of -0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-2,5-dioxooxolan-3-yl]oxolane-2,5-dione is sourced from PubChem (CID 53384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).