(3R)-3-hydroxyoxolane-2,5-dione

C4H4O4 — CID 118327209

IUPAC(3R)-3-hydroxyoxolane-2,5-dione
SMILESO=C1C[C@@H](O)C(=O)O1
InChIInChI=1S/C4H4O4/c5-2-1-3(6)8-4(2)7/h2,5H,1H2/t2-/m1/s1
InChIKeyKPYCVQASEGGKEG-UWTATZPHSA-N
MW116.07 g/mol
LogP-1.18
Rot. Bonds

About (3R)-3-hydroxyoxolane-2,5-dione

(3R)-3-hydroxyoxolane-2,5-dione (PubChem CID 118327209) has the molecular formula C4H4O4 and a molecular weight of 116.07 g/mol. Its IUPAC name is (3R)-3-hydroxyoxolane-2,5-dione.

Molecular Properties

Compound Name(3R)-3-hydroxyoxolane-2,5-dione
PubChem CID118327209
Molecular FormulaC4H4O4
Molecular Weight116.07 g/mol
Exact Mass116.01
IUPAC Name(3R)-3-hydroxyoxolane-2,5-dione
SMILESO=C1C[C@@H](O)C(=O)O1
InChIInChI=1S/C4H4O4/c5-2-1-3(6)8-4(2)7/h2,5H,1H2/t2-/m1/s1
InChIKeyKPYCVQASEGGKEG-UWTATZPHSA-N
XLogP-1.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.07
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxyoxolane-2,5-dione;3-prop-2-enyloxolane-2,5-dione
CID 174972510
3-hydroxyoxolane-2,5-dione;2-methylidenebutanoic acid
CID 88814351
but-3-enoic acid;chloroethene;3-hydroxyoxolane-2,5-dione;propa-1,2-diene
CID 174970889
3-[[(3S)-2,5-dioxooxolan-3-yl]methyl]oxolane-2,5-dione
CID 148818763
(3S)-3-aminooxolane-2,5-dione;zinc
CID 174884876
3-(2,5-dioxooxolan-3-yl)oxyoxolane-2,5-dione
CID 59141604
5-hydroxy-2,2-di(propan-2-yl)-1,3,2-dioxastannepane-4,7-dione
CID 140543406
ethenyl acetate;3-hydroxyoxolane-2,5-dione;4-oxo-4-prop-2-enoxybut-2-enoic acid
CID 173313734
2,2-dimethylpropane;3-propan-2-yloxolane-2,5-dione
CID 145340196
5-methyl-4a,5,9,9a-tetrahydro-4H-pyrano[3,4-d]oxepine-1,3,6,8-tetrone
CID 146186634
3-tert-butyloxolane-2,5-dione
CID 10820811
2-(2,5-dioxooxolan-3-yl)prop-2-enoic acid
CID 87585002

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxyoxolane-2,5-dione?
The IUPAC name of (3R)-3-hydroxyoxolane-2,5-dione (CID 118327209) is (3R)-3-hydroxyoxolane-2,5-dione.
What is the SMILES notation for (3R)-3-hydroxyoxolane-2,5-dione?
The canonical SMILES for (3R)-3-hydroxyoxolane-2,5-dione is O=C1C[C@@H](O)C(=O)O1.
What is the InChIKey of (3R)-3-hydroxyoxolane-2,5-dione?
The InChIKey is KPYCVQASEGGKEG-UWTATZPHSA-N. The full InChI is InChI=1S/C4H4O4/c5-2-1-3(6)8-4(2)7/h2,5H,1H2/t2-/m1/s1.
What are the key properties of (3R)-3-hydroxyoxolane-2,5-dione?
(3R)-3-hydroxyoxolane-2,5-dione has a molecular weight of 116.07 g/mol, XLogP of -1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxyoxolane-2,5-dione is sourced from PubChem (CID 118327209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).