ethyl 2-(2,3-dihydroxypropoxy)acetate

C7H14O5 — CID 57225948

IUPACethyl 2-(2,3-dihydroxypropoxy)acetate
SMILESCCOC(=O)COCC(O)CO
InChIInChI=1S/C7H14O5/c1-2-12-7(10)5-11-4-6(9)3-8/h6,8-9H,2-5H2,1H3
InChIKeyREJXSOLQTSYCPD-UHFFFAOYSA-N
MW178.18 g/mol
LogP-1.08
Rot. Bonds6

About ethyl 2-(2,3-dihydroxypropoxy)acetate

ethyl 2-(2,3-dihydroxypropoxy)acetate (PubChem CID 57225948) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is ethyl 2-(2,3-dihydroxypropoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2,3-dihydroxypropoxy)acetate
PubChem CID57225948
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Nameethyl 2-(2,3-dihydroxypropoxy)acetate
SMILESCCOC(=O)COCC(O)CO
InChIInChI=1S/C7H14O5/c1-2-12-7(10)5-11-4-6(9)3-8/h6,8-9H,2-5H2,1H3
InChIKeyREJXSOLQTSYCPD-UHFFFAOYSA-N
XLogP-1.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,2-difluoroethoxy)acetate
CID 82005115
formyl 2-(2,3-dihydroxypropoxy)acetate
CID 87900823
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 3-hydroxypropanoate;propane-1,2,3-triol
CID 161267681
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
[2-(2,3-dihydroxypropoxy)acetyl] octadecanoate
CID 118221493
acetic acid;3-(2,3-dihydroxypropoxy)propane-1,2-diol
CID 161329261
ethyl acetate;propane-1,2,3-triol
CID 23448368
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,3-dihydroxypropoxy)acetate?
The IUPAC name of ethyl 2-(2,3-dihydroxypropoxy)acetate (CID 57225948) is ethyl 2-(2,3-dihydroxypropoxy)acetate.
What is the SMILES notation for ethyl 2-(2,3-dihydroxypropoxy)acetate?
The canonical SMILES for ethyl 2-(2,3-dihydroxypropoxy)acetate is CCOC(=O)COCC(O)CO.
What is the InChIKey of ethyl 2-(2,3-dihydroxypropoxy)acetate?
The InChIKey is REJXSOLQTSYCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c1-2-12-7(10)5-11-4-6(9)3-8/h6,8-9H,2-5H2,1H3.
What are the key properties of ethyl 2-(2,3-dihydroxypropoxy)acetate?
ethyl 2-(2,3-dihydroxypropoxy)acetate has a molecular weight of 178.18 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,3-dihydroxypropoxy)acetate is sourced from PubChem (CID 57225948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).