ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate

C10H18O4 — CID 45094642

IUPACethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCO[C@H]1OC
InChIInChI=1S/C10H18O4/c1-3-13-9(11)5-4-8-6-7-14-10(8)12-2/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1
InChIKeyUBULFWAJFUOVTD-PSASIEDQSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds5

About ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate

ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate (PubChem CID 45094642) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
PubChem CID45094642
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
SMILESCCOC(=O)CC[C@@H]1CCO[C@H]1OC
InChIInChI=1S/C10H18O4/c1-3-13-9(11)5-4-8-6-7-14-10(8)12-2/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1
InChIKeyUBULFWAJFUOVTD-PSASIEDQSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate?
The IUPAC name of ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate (CID 45094642) is ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate?
The canonical SMILES for ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate is CCOC(=O)CC[C@@H]1CCO[C@H]1OC.
What is the InChIKey of ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate?
The InChIKey is UBULFWAJFUOVTD-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-13-9(11)5-4-8-6-7-14-10(8)12-2/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate?
ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate is sourced from PubChem (CID 45094642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).