ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate

C11H22O6 — CID 161440324

IUPACethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
SMILESCCCOC(=O)CCO.CCOC(=O)CCO
InChIInChI=1S/C6H12O3.C5H10O3/c1-2-5-9-6(8)3-4-7;1-2-8-5(7)3-4-6/h7H,2-5H2,1H3;6H,2-4H2,1H3
InChIKeyVZELWIMPBRYOTB-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.25
Rot. Bonds7

About ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate

ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate (PubChem CID 161440324) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
PubChem CID161440324
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Nameethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate
SMILESCCCOC(=O)CCO.CCOC(=O)CCO
InChIInChI=1S/C6H12O3.C5H10O3/c1-2-5-9-6(8)3-4-7;1-2-8-5(7)3-4-6/h7H,2-5H2,1H3;6H,2-4H2,1H3
InChIKeyVZELWIMPBRYOTB-UHFFFAOYSA-N
XLogP0.25
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 3-hydroxypropanoate
CID 12778693
ethyl 3-hydroxypropanoate
CID 160663371
(ethyl 3-hydroxypropanoate);hexane
CID 173284299
ethyl 3-hydroxypropanoate;heptane
CID 18415145
dichloromethane;ethyl 3-hydroxypropanoate
CID 22030839
acetic acid;ethyl 3-hydroxypropanoate
CID 18372917
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334
cyclohexane;ethyl 3-hydroxypropanoate
CID 66723780
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
ethyl acetate;ethyl 3-hydroxypropanoate;hexane
CID 173066661
(3-ethoxy-3-oxopropyl) butanoate
CID 86150326
nonyl 3-hydroxypropanoate
CID 139821975

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate?
The IUPAC name of ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate (CID 161440324) is ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate?
The canonical SMILES for ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate is CCCOC(=O)CCO.CCOC(=O)CCO.
What is the InChIKey of ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate?
The InChIKey is VZELWIMPBRYOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C5H10O3/c1-2-5-9-6(8)3-4-7;1-2-8-5(7)3-4-6/h7H,2-5H2,1H3;6H,2-4H2,1H3.
What are the key properties of ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate?
ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate has a molecular weight of 250.29 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxypropanoate;propyl 3-hydroxypropanoate is sourced from PubChem (CID 161440324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).