methyl 4-oxooxolane-2-carboxylate

C6H8O4 — CID 45090037

IUPACmethyl 4-oxooxolane-2-carboxylate
SMILESCOC(=O)C1CC(=O)CO1
InChIInChI=1S/C6H8O4/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3
InChIKeyWUHVSNZGUSYYOW-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.48
Rot. Bonds1

About methyl 4-oxooxolane-2-carboxylate

methyl 4-oxooxolane-2-carboxylate (PubChem CID 45090037) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is methyl 4-oxooxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxooxolane-2-carboxylate
PubChem CID45090037
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Namemethyl 4-oxooxolane-2-carboxylate
SMILESCOC(=O)C1CC(=O)CO1
InChIInChI=1S/C6H8O4/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3
InChIKeyWUHVSNZGUSYYOW-UHFFFAOYSA-N
XLogP-0.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxooxolane-2-carboxylate?
The IUPAC name of methyl 4-oxooxolane-2-carboxylate (CID 45090037) is methyl 4-oxooxolane-2-carboxylate.
What is the SMILES notation for methyl 4-oxooxolane-2-carboxylate?
The canonical SMILES for methyl 4-oxooxolane-2-carboxylate is COC(=O)C1CC(=O)CO1.
What is the InChIKey of methyl 4-oxooxolane-2-carboxylate?
The InChIKey is WUHVSNZGUSYYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3.
What are the key properties of methyl 4-oxooxolane-2-carboxylate?
methyl 4-oxooxolane-2-carboxylate has a molecular weight of 144.13 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxooxolane-2-carboxylate is sourced from PubChem (CID 45090037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).