2-oxopentan-3-yl 2-hydroxybutanoate

C9H16O4 — CID 22889131

IUPAC2-oxopentan-3-yl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OC(CC)C(C)=O
InChIInChI=1S/C9H16O4/c1-4-7(11)9(12)13-8(5-2)6(3)10/h7-8,11H,4-5H2,1-3H3
InChIKeyUTOKPZAVYXSMFY-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.67
Rot. Bonds5

About 2-oxopentan-3-yl 2-hydroxybutanoate

2-oxopentan-3-yl 2-hydroxybutanoate (PubChem CID 22889131) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-oxopentan-3-yl 2-hydroxybutanoate.

Molecular Properties

Compound Name2-oxopentan-3-yl 2-hydroxybutanoate
PubChem CID22889131
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-oxopentan-3-yl 2-hydroxybutanoate
SMILESCCC(O)C(=O)OC(CC)C(C)=O
InChIInChI=1S/C9H16O4/c1-4-7(11)9(12)13-8(5-2)6(3)10/h7-8,11H,4-5H2,1-3H3
InChIKeyUTOKPZAVYXSMFY-UHFFFAOYSA-N
XLogP0.67
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxopentan-3-yl 2-hydroxybutanoate?
The IUPAC name of 2-oxopentan-3-yl 2-hydroxybutanoate (CID 22889131) is 2-oxopentan-3-yl 2-hydroxybutanoate.
What is the SMILES notation for 2-oxopentan-3-yl 2-hydroxybutanoate?
The canonical SMILES for 2-oxopentan-3-yl 2-hydroxybutanoate is CCC(O)C(=O)OC(CC)C(C)=O.
What is the InChIKey of 2-oxopentan-3-yl 2-hydroxybutanoate?
The InChIKey is UTOKPZAVYXSMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-7(11)9(12)13-8(5-2)6(3)10/h7-8,11H,4-5H2,1-3H3.
What are the key properties of 2-oxopentan-3-yl 2-hydroxybutanoate?
2-oxopentan-3-yl 2-hydroxybutanoate has a molecular weight of 188.22 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopentan-3-yl 2-hydroxybutanoate is sourced from PubChem (CID 22889131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).