ethoxyethane;2-hydroxyethyl propanoate

C9H20O4 — CID 87293402

IUPACethoxyethane;2-hydroxyethyl propanoate
SMILESCCC(=O)OCCO.CCOCC
InChIInChI=1S/C5H10O3.C4H10O/c1-2-5(7)8-4-3-6;1-3-5-4-2/h6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyIIBOEMLCPSLFID-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.97
Rot. Bonds5

About ethoxyethane;2-hydroxyethyl propanoate

ethoxyethane;2-hydroxyethyl propanoate (PubChem CID 87293402) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is ethoxyethane;2-hydroxyethyl propanoate.

Molecular Properties

Compound Nameethoxyethane;2-hydroxyethyl propanoate
PubChem CID87293402
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Nameethoxyethane;2-hydroxyethyl propanoate
SMILESCCC(=O)OCCO.CCOCC
InChIInChI=1S/C5H10O3.C4H10O/c1-2-5(7)8-4-3-6;1-3-5-4-2/h6H,2-4H2,1H3;3-4H2,1-2H3
InChIKeyIIBOEMLCPSLFID-UHFFFAOYSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethoxyethane;2-hydroxyethyl propanoate 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

2-hydroxyethyl propanoate;propanoic acid
CID 175568032
butyl propanoate;2-(2-hydroxyethoxy)ethanol
CID 157321164
ethoxyethane;2-hydroxyethyl dodecanoate
CID 87130982
ethoxyethane;2-hydroxyethyl docosanoate
CID 121301688
2-hydroxyethyl propanoate;pentan-1-ol
CID 174862419
2-ethoxyethyl propanoate;2-methoxyethyl propanoate
CID 87828921
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-hydroxyethyl propanoate;2-iodoethanol;propanoic acid
CID 157337813
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
9-hydroxynonyl propanoate
CID 90020173
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
2-ethoxyethanol;propanoic acid
CID 71354268

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;2-hydroxyethyl propanoate?
The IUPAC name of ethoxyethane;2-hydroxyethyl propanoate (CID 87293402) is ethoxyethane;2-hydroxyethyl propanoate.
What is the SMILES notation for ethoxyethane;2-hydroxyethyl propanoate?
The canonical SMILES for ethoxyethane;2-hydroxyethyl propanoate is CCC(=O)OCCO.CCOCC.
What is the InChIKey of ethoxyethane;2-hydroxyethyl propanoate?
The InChIKey is IIBOEMLCPSLFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H10O/c1-2-5(7)8-4-3-6;1-3-5-4-2/h6H,2-4H2,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;2-hydroxyethyl propanoate?
ethoxyethane;2-hydroxyethyl propanoate has a molecular weight of 192.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;2-hydroxyethyl propanoate is sourced from PubChem (CID 87293402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).