cyclohexanone;ethyl 2-hydroxypropanoate

C11H20O4 — CID 22290081

IUPACcyclohexanone;ethyl 2-hydroxypropanoate
SMILESCCOC(=O)C(C)O.O=C1CCCCC1
InChIInChI=1S/C6H10O.C5H10O3/c7-6-4-2-1-3-5-6;1-3-8-5(7)4(2)6/h1-5H2;4,6H,3H2,1-2H3
InChIKeyGPKNKLNEXMYBIA-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.45
Rot. Bonds2

About cyclohexanone;ethyl 2-hydroxypropanoate

cyclohexanone;ethyl 2-hydroxypropanoate (PubChem CID 22290081) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is cyclohexanone;ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Namecyclohexanone;ethyl 2-hydroxypropanoate
PubChem CID22290081
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namecyclohexanone;ethyl 2-hydroxypropanoate
SMILESCCOC(=O)C(C)O.O=C1CCCCC1
InChIInChI=1S/C6H10O.C5H10O3/c7-6-4-2-1-3-5-6;1-3-8-5(7)4(2)6/h1-5H2;4,6H,3H2,1-2H3
InChIKeyGPKNKLNEXMYBIA-UHFFFAOYSA-N
XLogP1.45
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;ethyl 2-hydroxypropanoate?
The IUPAC name of cyclohexanone;ethyl 2-hydroxypropanoate (CID 22290081) is cyclohexanone;ethyl 2-hydroxypropanoate.
What is the SMILES notation for cyclohexanone;ethyl 2-hydroxypropanoate?
The canonical SMILES for cyclohexanone;ethyl 2-hydroxypropanoate is CCOC(=O)C(C)O.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;ethyl 2-hydroxypropanoate?
The InChIKey is GPKNKLNEXMYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H10O3/c7-6-4-2-1-3-5-6;1-3-8-5(7)4(2)6/h1-5H2;4,6H,3H2,1-2H3.
What are the key properties of cyclohexanone;ethyl 2-hydroxypropanoate?
cyclohexanone;ethyl 2-hydroxypropanoate has a molecular weight of 216.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;ethyl 2-hydroxypropanoate is sourced from PubChem (CID 22290081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).