butan-2-one;ethyl 2-hydroxypropanoate

C9H18O4 — CID 19875658

IUPACbutan-2-one;ethyl 2-hydroxypropanoate
SMILESCCC(C)=O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C4H8O/c1-3-8-5(7)4(2)6;1-3-4(2)5/h4,6H,3H2,1-2H3;3H2,1-2H3
InChIKeyPCNLIDGMBINDRW-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.92
Rot. Bonds3

About butan-2-one;ethyl 2-hydroxypropanoate

butan-2-one;ethyl 2-hydroxypropanoate (PubChem CID 19875658) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is butan-2-one;ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Namebutan-2-one;ethyl 2-hydroxypropanoate
PubChem CID19875658
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namebutan-2-one;ethyl 2-hydroxypropanoate
SMILESCCC(C)=O.CCOC(=O)C(C)O
InChIInChI=1S/C5H10O3.C4H8O/c1-3-8-5(7)4(2)6;1-3-4(2)5/h4,6H,3H2,1-2H3;3H2,1-2H3
InChIKeyPCNLIDGMBINDRW-UHFFFAOYSA-N
XLogP0.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxypropanoate;sulfane
CID 162209332
bis(butan-2-one);ethyl acetate
CID 162133586
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
ethyl 2-hydroxypropanoate;3-methylbutyl acetate
CID 159025256
bis(butan-1-olate);bis(ethyl 2-hydroxypropanoate);zirconium(2+)
CID 173454939
ethyl acetate;bis(propan-2-ol)
CID 87186921
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl 2-hydroxypropanoate;hexanoic acid
CID 175216225
ethyl 2-hydroxypropanoate;(3R)-1,3,4-trihydroxybutan-2-one
CID 89266944
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
ethyl acetate;propan-2-ol;hydrate
CID 22041847

Frequently Asked Questions

What is the IUPAC name of butan-2-one;ethyl 2-hydroxypropanoate?
The IUPAC name of butan-2-one;ethyl 2-hydroxypropanoate (CID 19875658) is butan-2-one;ethyl 2-hydroxypropanoate.
What is the SMILES notation for butan-2-one;ethyl 2-hydroxypropanoate?
The canonical SMILES for butan-2-one;ethyl 2-hydroxypropanoate is CCC(C)=O.CCOC(=O)C(C)O.
What is the InChIKey of butan-2-one;ethyl 2-hydroxypropanoate?
The InChIKey is PCNLIDGMBINDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C4H8O/c1-3-8-5(7)4(2)6;1-3-4(2)5/h4,6H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of butan-2-one;ethyl 2-hydroxypropanoate?
butan-2-one;ethyl 2-hydroxypropanoate has a molecular weight of 190.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;ethyl 2-hydroxypropanoate is sourced from PubChem (CID 19875658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).