2-butyl-3-hydroxy-6-methylpyran-4-one

C10H14O3 — CID 10531616

IUPAC2-butyl-3-hydroxy-6-methylpyran-4-one
SMILESCCCCc1oc(C)cc(=O)c1O
InChIInChI=1S/C10H14O3/c1-3-4-5-9-10(12)8(11)6-7(2)13-9/h6,12H,3-5H2,1-2H3
InChIKeyXVPDSJFMTVIDAG-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.00
Rot. Bonds3

About 2-butyl-3-hydroxy-6-methylpyran-4-one

2-butyl-3-hydroxy-6-methylpyran-4-one (PubChem CID 10531616) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-butyl-3-hydroxy-6-methylpyran-4-one.

Molecular Properties

Compound Name2-butyl-3-hydroxy-6-methylpyran-4-one
PubChem CID10531616
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-butyl-3-hydroxy-6-methylpyran-4-one
SMILESCCCCc1oc(C)cc(=O)c1O
InChIInChI=1S/C10H14O3/c1-3-4-5-9-10(12)8(11)6-7(2)13-9/h6,12H,3-5H2,1-2H3
InChIKeyXVPDSJFMTVIDAG-UHFFFAOYSA-N
XLogP2.00
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-hydroxy-6-methylpyran-4-one?
The IUPAC name of 2-butyl-3-hydroxy-6-methylpyran-4-one (CID 10531616) is 2-butyl-3-hydroxy-6-methylpyran-4-one.
What is the SMILES notation for 2-butyl-3-hydroxy-6-methylpyran-4-one?
The canonical SMILES for 2-butyl-3-hydroxy-6-methylpyran-4-one is CCCCc1oc(C)cc(=O)c1O.
What is the InChIKey of 2-butyl-3-hydroxy-6-methylpyran-4-one?
The InChIKey is XVPDSJFMTVIDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-4-5-9-10(12)8(11)6-7(2)13-9/h6,12H,3-5H2,1-2H3.
What are the key properties of 2-butyl-3-hydroxy-6-methylpyran-4-one?
2-butyl-3-hydroxy-6-methylpyran-4-one has a molecular weight of 182.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-hydroxy-6-methylpyran-4-one is sourced from PubChem (CID 10531616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).