ethyl (2R)-5-oxooxolane-2-carboxylate

C7H10O4 — CID 853168

IUPACethyl (2R)-5-oxooxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(=O)O1
InChIInChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyMJQGWRVDIFBMNW-RXMQYKEDSA-N
MW158.15 g/mol
LogP0.26
Rot. Bonds2

About ethyl (2R)-5-oxooxolane-2-carboxylate

ethyl (2R)-5-oxooxolane-2-carboxylate (PubChem CID 853168) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is ethyl (2R)-5-oxooxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-5-oxooxolane-2-carboxylate
PubChem CID853168
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameethyl (2R)-5-oxooxolane-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC(=O)O1
InChIInChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyMJQGWRVDIFBMNW-RXMQYKEDSA-N
XLogP0.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-5-oxooxolane-2-carboxylate?
The IUPAC name of ethyl (2R)-5-oxooxolane-2-carboxylate (CID 853168) is ethyl (2R)-5-oxooxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R)-5-oxooxolane-2-carboxylate?
The canonical SMILES for ethyl (2R)-5-oxooxolane-2-carboxylate is CCOC(=O)[C@H]1CCC(=O)O1.
What is the InChIKey of ethyl (2R)-5-oxooxolane-2-carboxylate?
The InChIKey is MJQGWRVDIFBMNW-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of ethyl (2R)-5-oxooxolane-2-carboxylate?
ethyl (2R)-5-oxooxolane-2-carboxylate has a molecular weight of 158.15 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-5-oxooxolane-2-carboxylate is sourced from PubChem (CID 853168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).