ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one

C11H24O5 — CID 157235933

IUPACethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C3H8O.C3H6O/c1-3-8-5(7)4(2)6;2*1-3(2)4/h4,6H,3H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyAUQCTQCIXGQXGT-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.91
Rot. Bonds2

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

ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one (PubChem CID 157235933) has the molecular formula C11H24O5 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one
PubChem CID157235933
Molecular FormulaC11H24O5
Molecular Weight236.31 g/mol
Exact Mass236.16
IUPAC Nameethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C3H8O.C3H6O/c1-3-8-5(7)4(2)6;2*1-3(2)4/h4,6H,3H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyAUQCTQCIXGQXGT-UHFFFAOYSA-N
XLogP0.91
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one?
The IUPAC name of ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one (CID 157235933) is ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one.
What is the SMILES notation for ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one?
The canonical SMILES for ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one is CC(C)=O.CC(C)O.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one?
The InChIKey is AUQCTQCIXGQXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H8O.C3H6O/c1-3-8-5(7)4(2)6;2*1-3(2)4/h4,6H,3H2,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one?
ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;propan-2-ol;propan-2-one is sourced from PubChem (CID 157235933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).