ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate

C10H18O4 — CID 97035691

IUPACethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCO[C@H]1OCC
InChIInChI=1S/C10H18O4/c1-3-12-9(11)7-8-5-6-14-10(8)13-4-2/h8,10H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyMHAPELXMSNWURG-WCBMZHEXSA-N
MW202.25 g/mol
LogP1.34
Rot. Bonds5

About ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate

ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate (PubChem CID 97035691) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate
PubChem CID97035691
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCO[C@H]1OCC
InChIInChI=1S/C10H18O4/c1-3-12-9(11)7-8-5-6-14-10(8)13-4-2/h8,10H,3-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyMHAPELXMSNWURG-WCBMZHEXSA-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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Related Compounds

ethyl 2-(2-methyloxolan-3-yl)acetate
CID 118541290
ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate
CID 59281677
ethyl 2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)acetate
CID 118544513
ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
CID 45094642
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate?
The IUPAC name of ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate (CID 97035691) is ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate is CCOC(=O)C[C@@H]1CCO[C@H]1OCC.
What is the InChIKey of ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate?
The InChIKey is MHAPELXMSNWURG-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-12-9(11)7-8-5-6-14-10(8)13-4-2/h8,10H,3-7H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate?
ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate 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 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate is sourced from PubChem (CID 97035691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).