(2R,5R)-5-ethyl-2-methoxyoxolan-3-one

C7H12O3 — CID 122450181

IUPAC(2R,5R)-5-ethyl-2-methoxyoxolan-3-one
SMILESCC[C@@H]1CC(=O)[C@H](OC)O1
InChIInChI=1S/C7H12O3/c1-3-5-4-6(8)7(9-2)10-5/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyHDSAOQQMFUXRFZ-IYSWYEEDSA-N
MW144.17 g/mol
LogP0.73
Rot. Bonds2

About (2R,5R)-5-ethyl-2-methoxyoxolan-3-one

(2R,5R)-5-ethyl-2-methoxyoxolan-3-one (PubChem CID 122450181) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2R,5R)-5-ethyl-2-methoxyoxolan-3-one.

Molecular Properties

Compound Name(2R,5R)-5-ethyl-2-methoxyoxolan-3-one
PubChem CID122450181
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2R,5R)-5-ethyl-2-methoxyoxolan-3-one
SMILESCC[C@@H]1CC(=O)[C@H](OC)O1
InChIInChI=1S/C7H12O3/c1-3-5-4-6(8)7(9-2)10-5/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1
InChIKeyHDSAOQQMFUXRFZ-IYSWYEEDSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-ethyl-2-methoxyoxolan-3-one?
The IUPAC name of (2R,5R)-5-ethyl-2-methoxyoxolan-3-one (CID 122450181) is (2R,5R)-5-ethyl-2-methoxyoxolan-3-one.
What is the SMILES notation for (2R,5R)-5-ethyl-2-methoxyoxolan-3-one?
The canonical SMILES for (2R,5R)-5-ethyl-2-methoxyoxolan-3-one is CC[C@@H]1CC(=O)[C@H](OC)O1.
What is the InChIKey of (2R,5R)-5-ethyl-2-methoxyoxolan-3-one?
The InChIKey is HDSAOQQMFUXRFZ-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-5-4-6(8)7(9-2)10-5/h5,7H,3-4H2,1-2H3/t5-,7-/m1/s1.
What are the key properties of (2R,5R)-5-ethyl-2-methoxyoxolan-3-one?
(2R,5R)-5-ethyl-2-methoxyoxolan-3-one has a molecular weight of 144.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-ethyl-2-methoxyoxolan-3-one is sourced from PubChem (CID 122450181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).