2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one

C11H20O3 — CID 103446987

IUPAC2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one
SMILESCCC(O)(CC)C(=O)C1CCOCC1
InChIInChI=1S/C11H20O3/c1-3-11(13,4-2)10(12)9-5-7-14-8-6-9/h9,13H,3-8H2,1-2H3
InChIKeyJKLULSSYINFWLL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.53
Rot. Bonds4

About 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one

2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one (PubChem CID 103446987) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one
PubChem CID103446987
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one
SMILESCCC(O)(CC)C(=O)C1CCOCC1
InChIInChI=1S/C11H20O3/c1-3-11(13,4-2)10(12)9-5-7-14-8-6-9/h9,13H,3-8H2,1-2H3
InChIKeyJKLULSSYINFWLL-UHFFFAOYSA-N
XLogP1.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one?
The IUPAC name of 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one (CID 103446987) is 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one?
The canonical SMILES for 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one is CCC(O)(CC)C(=O)C1CCOCC1.
What is the InChIKey of 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one?
The InChIKey is JKLULSSYINFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-11(13,4-2)10(12)9-5-7-14-8-6-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one?
2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-1-(oxan-4-yl)butan-1-one is sourced from PubChem (CID 103446987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).