ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate

C12H20O5 — CID 70795382

IUPACethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
SMILESCCOC(=O)C[C@H]1O[C@@H](C)C[C@H]1C(=O)OCC
InChIInChI=1S/C12H20O5/c1-4-15-11(13)7-10-9(6-8(3)17-10)12(14)16-5-2/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyMLQKMZYZDRASGK-IVZWLZJFSA-N
MW244.29 g/mol
LogP1.30
Rot. Bonds5

About ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate

ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate (PubChem CID 70795382) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
PubChem CID70795382
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nameethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate
SMILESCCOC(=O)C[C@H]1O[C@@H](C)C[C@H]1C(=O)OCC
InChIInChI=1S/C12H20O5/c1-4-15-11(13)7-10-9(6-8(3)17-10)12(14)16-5-2/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyMLQKMZYZDRASGK-IVZWLZJFSA-N
XLogP1.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
The IUPAC name of ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate (CID 70795382) is ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate is CCOC(=O)C[C@H]1O[C@@H](C)C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
The InChIKey is MLQKMZYZDRASGK-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H20O5/c1-4-15-11(13)7-10-9(6-8(3)17-10)12(14)16-5-2/h8-10H,4-7H2,1-3H3/t8-,9+,10+/m0/s1.
What are the key properties of ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate?
ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,5S)-2-(2-ethoxy-2-oxoethyl)-5-methyloxolane-3-carboxylate is sourced from PubChem (CID 70795382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).