3-chloro-3-hydroxyoxolane-2,5-dione

C4H3ClO4 — CID 91503730

IUPAC3-chloro-3-hydroxyoxolane-2,5-dione
SMILESO=C1CC(O)(Cl)C(=O)O1
InChIInChI=1S/C4H3ClO4/c5-4(8)1-2(6)9-3(4)7/h8H,1H2
InChIKeyOZLVUTGDNDUUOV-UHFFFAOYSA-N
MW150.52 g/mol
LogP-0.61
Rot. Bonds

About 3-chloro-3-hydroxyoxolane-2,5-dione

3-chloro-3-hydroxyoxolane-2,5-dione (PubChem CID 91503730) has the molecular formula C4H3ClO4 and a molecular weight of 150.52 g/mol. Its IUPAC name is 3-chloro-3-hydroxyoxolane-2,5-dione.

Molecular Properties

Compound Name3-chloro-3-hydroxyoxolane-2,5-dione
PubChem CID91503730
Molecular FormulaC4H3ClO4
Molecular Weight150.52 g/mol
Exact Mass149.97
IUPAC Name3-chloro-3-hydroxyoxolane-2,5-dione
SMILESO=C1CC(O)(Cl)C(=O)O1
InChIInChI=1S/C4H3ClO4/c5-4(8)1-2(6)9-3(4)7/h8H,1H2
InChIKeyOZLVUTGDNDUUOV-UHFFFAOYSA-N
XLogP-0.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.52
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-hydroxyoxolane-2,5-dione?
The IUPAC name of 3-chloro-3-hydroxyoxolane-2,5-dione (CID 91503730) is 3-chloro-3-hydroxyoxolane-2,5-dione.
What is the SMILES notation for 3-chloro-3-hydroxyoxolane-2,5-dione?
The canonical SMILES for 3-chloro-3-hydroxyoxolane-2,5-dione is O=C1CC(O)(Cl)C(=O)O1.
What is the InChIKey of 3-chloro-3-hydroxyoxolane-2,5-dione?
The InChIKey is OZLVUTGDNDUUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClO4/c5-4(8)1-2(6)9-3(4)7/h8H,1H2.
What are the key properties of 3-chloro-3-hydroxyoxolane-2,5-dione?
3-chloro-3-hydroxyoxolane-2,5-dione has a molecular weight of 150.52 g/mol, XLogP of -0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-hydroxyoxolane-2,5-dione is sourced from PubChem (CID 91503730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).