ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate

C10H18O5 — CID 58720963

IUPACethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate
SMILESCCOC(=O)C[C@H]1C(OCC)OC[C@@H]1O
InChIInChI=1S/C10H18O5/c1-3-13-9(12)5-7-8(11)6-15-10(7)14-4-2/h7-8,10-11H,3-6H2,1-2H3/t7-,8+,10?/m1/s1
InChIKeyIYKYHFONHVVLKX-HHCGNCNQSA-N
MW218.25 g/mol
LogP0.31
Rot. Bonds5

About ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate

ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate (PubChem CID 58720963) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate
PubChem CID58720963
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Nameethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate
SMILESCCOC(=O)C[C@H]1C(OCC)OC[C@@H]1O
InChIInChI=1S/C10H18O5/c1-3-13-9(12)5-7-8(11)6-15-10(7)14-4-2/h7-8,10-11H,3-6H2,1-2H3/t7-,8+,10?/m1/s1
InChIKeyIYKYHFONHVVLKX-HHCGNCNQSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rac-2-((3R,4S)-4-hydroxyoxolan-3-yl)acetic acid
CID 96220124
(4R)-5,5-dimethyl-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]oxolan-2-one
CID 163190233
(2R,3R)-ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625044
Ethyl 2-hydroxy-2-(oxolan-3-yl)acetate
CID 15415399
(4S,5S)-5-(Pivaloyloxymethyl)-4-[1,3]dioxolan-2-yldihydrofuran-2-one
CID 11219495
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
ethyl (3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanoate
CID 101582412
((2R,3S,4R)-3,4,5-Trihydroxytetrahydrofuran-2-yl)methyl isobutyrate
CID 164674446
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoate
CID 42625046
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 57887637
ethyl (3S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoate
CID 57887659
ethyl (2S,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoate
CID 68029458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate (CID 58720963) is ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate is CCOC(=O)C[C@H]1C(OCC)OC[C@@H]1O.
What is the InChIKey of ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate?
The InChIKey is IYKYHFONHVVLKX-HHCGNCNQSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-13-9(12)5-7-8(11)6-15-10(7)14-4-2/h7-8,10-11H,3-6H2,1-2H3/t7-,8+,10?/m1/s1.
What are the key properties of ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate?
ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate has a molecular weight of 218.25 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R,4R)-2-ethoxy-4-hydroxyoxolan-3-yl]acetate is sourced from PubChem (CID 58720963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).