ethyl 2-hydroxy-3-methyl-4-oxopentanoate

C8H14O4 — CID 59900857

IUPACethyl 2-hydroxy-3-methyl-4-oxopentanoate
SMILESCCOC(=O)C(O)C(C)C(C)=O
InChIInChI=1S/C8H14O4/c1-4-12-8(11)7(10)5(2)6(3)9/h5,7,10H,4H2,1-3H3
InChIKeyUJBGDHMTJMGQQS-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.14
Rot. Bonds4

About ethyl 2-hydroxy-3-methyl-4-oxopentanoate

ethyl 2-hydroxy-3-methyl-4-oxopentanoate (PubChem CID 59900857) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-methyl-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-methyl-4-oxopentanoate
PubChem CID59900857
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Nameethyl 2-hydroxy-3-methyl-4-oxopentanoate
SMILESCCOC(=O)C(O)C(C)C(C)=O
InChIInChI=1S/C8H14O4/c1-4-12-8(11)7(10)5(2)6(3)9/h5,7,10H,4H2,1-3H3
InChIKeyUJBGDHMTJMGQQS-UHFFFAOYSA-N
XLogP0.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-methyl-4-oxopentanoate?
The IUPAC name of ethyl 2-hydroxy-3-methyl-4-oxopentanoate (CID 59900857) is ethyl 2-hydroxy-3-methyl-4-oxopentanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-methyl-4-oxopentanoate?
The canonical SMILES for ethyl 2-hydroxy-3-methyl-4-oxopentanoate is CCOC(=O)C(O)C(C)C(C)=O.
What is the InChIKey of ethyl 2-hydroxy-3-methyl-4-oxopentanoate?
The InChIKey is UJBGDHMTJMGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-12-8(11)7(10)5(2)6(3)9/h5,7,10H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-3-methyl-4-oxopentanoate?
ethyl 2-hydroxy-3-methyl-4-oxopentanoate has a molecular weight of 174.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-methyl-4-oxopentanoate is sourced from PubChem (CID 59900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).