ethanol;ethyl 2-hydroxypropanoate;propan-2-one

C10H22O5 — CID 88815553

IUPACethanol;ethyl 2-hydroxypropanoate;propan-2-one
SMILESCC(C)=O.CCO.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C3H6O.C2H6O/c1-3-8-5(7)4(2)6;1-3(2)4;1-2-3/h4,6H,3H2,1-2H3;1-2H3;3H,2H2,1H3
InChIKeyLCRAZUBMIGNCFX-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.52
Rot. Bonds2

About ethanol;ethyl 2-hydroxypropanoate;propan-2-one

ethanol;ethyl 2-hydroxypropanoate;propan-2-one (PubChem CID 88815553) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is ethanol;ethyl 2-hydroxypropanoate;propan-2-one.

Molecular Properties

Compound Nameethanol;ethyl 2-hydroxypropanoate;propan-2-one
PubChem CID88815553
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Nameethanol;ethyl 2-hydroxypropanoate;propan-2-one
SMILESCC(C)=O.CCO.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C3H6O.C2H6O/c1-3-8-5(7)4(2)6;1-3(2)4;1-2-3/h4,6H,3H2,1-2H3;1-2H3;3H,2H2,1H3
InChIKeyLCRAZUBMIGNCFX-UHFFFAOYSA-N
XLogP0.52
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 2-hydroxypropanoate;propan-2-one?
The IUPAC name of ethanol;ethyl 2-hydroxypropanoate;propan-2-one (CID 88815553) is ethanol;ethyl 2-hydroxypropanoate;propan-2-one.
What is the SMILES notation for ethanol;ethyl 2-hydroxypropanoate;propan-2-one?
The canonical SMILES for ethanol;ethyl 2-hydroxypropanoate;propan-2-one is CC(C)=O.CCO.CCOC(=O)C(C)O.
What is the InChIKey of ethanol;ethyl 2-hydroxypropanoate;propan-2-one?
The InChIKey is LCRAZUBMIGNCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H6O.C2H6O/c1-3-8-5(7)4(2)6;1-3(2)4;1-2-3/h4,6H,3H2,1-2H3;1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;ethyl 2-hydroxypropanoate;propan-2-one?
ethanol;ethyl 2-hydroxypropanoate;propan-2-one has a molecular weight of 222.28 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 2-hydroxypropanoate;propan-2-one is sourced from PubChem (CID 88815553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).