ethyl 3-hydroxypropanoate;propane-1,2,3-triol

C8H18O6 — CID 161267681

IUPACethyl 3-hydroxypropanoate;propane-1,2,3-triol
SMILESCCOC(=O)CCO.OCC(O)CO
InChIInChI=1S/C5H10O3.C3H8O3/c1-2-8-5(7)3-4-6;4-1-3(6)2-5/h6H,2-4H2,1H3;3-6H,1-2H2
InChIKeyVDKCSZNUIDYFEP-UHFFFAOYSA-N
MW210.23 g/mol
LogP-1.74
Rot. Bonds5

About ethyl 3-hydroxypropanoate;propane-1,2,3-triol

ethyl 3-hydroxypropanoate;propane-1,2,3-triol (PubChem CID 161267681) has the molecular formula C8H18O6 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-hydroxypropanoate;propane-1,2,3-triol.

Molecular Properties

Compound Nameethyl 3-hydroxypropanoate;propane-1,2,3-triol
PubChem CID161267681
Molecular FormulaC8H18O6
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Nameethyl 3-hydroxypropanoate;propane-1,2,3-triol
SMILESCCOC(=O)CCO.OCC(O)CO
InChIInChI=1S/C5H10O3.C3H8O3/c1-2-8-5(7)3-4-6;4-1-3(6)2-5/h6H,2-4H2,1H3;3-6H,1-2H2
InChIKeyVDKCSZNUIDYFEP-UHFFFAOYSA-N
XLogP-1.74
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-hydroxypropanoate
CID 160663371
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl acetate;propane-1,2,3-triol
CID 23448368
dichloromethane;ethyl acetate;ethyl 3-hydroxypropanoate
CID 87397368
ethyl 3-hydroxypropanoate;heptane
CID 18415145
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
CID 161440324
ethyl acetate;ethyl 3-hydroxypropanoate;hexane
CID 173066661
sodium;ethyl 13,14-dihydroxytetradecanoate;hydride
CID 173047367

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxypropanoate;propane-1,2,3-triol?
The IUPAC name of ethyl 3-hydroxypropanoate;propane-1,2,3-triol (CID 161267681) is ethyl 3-hydroxypropanoate;propane-1,2,3-triol.
What is the SMILES notation for ethyl 3-hydroxypropanoate;propane-1,2,3-triol?
The canonical SMILES for ethyl 3-hydroxypropanoate;propane-1,2,3-triol is CCOC(=O)CCO.OCC(O)CO.
What is the InChIKey of ethyl 3-hydroxypropanoate;propane-1,2,3-triol?
The InChIKey is VDKCSZNUIDYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H8O3/c1-2-8-5(7)3-4-6;4-1-3(6)2-5/h6H,2-4H2,1H3;3-6H,1-2H2.
What are the key properties of ethyl 3-hydroxypropanoate;propane-1,2,3-triol?
ethyl 3-hydroxypropanoate;propane-1,2,3-triol has a molecular weight of 210.23 g/mol, XLogP of -1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxypropanoate;propane-1,2,3-triol is sourced from PubChem (CID 161267681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).