2-(cyclobutylmethyl)-3-hydroxypyran-4-one

C10H12O3 — CID 84657294

IUPAC2-(cyclobutylmethyl)-3-hydroxypyran-4-one
SMILESO=c1ccoc(CC2CCC2)c1O
InChIInChI=1S/C10H12O3/c11-8-4-5-13-9(10(8)12)6-7-2-1-3-7/h4-5,7,12H,1-3,6H2
InChIKeyWJXHGXSGKFEXOA-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.69
Rot. Bonds2

About 2-(cyclobutylmethyl)-3-hydroxypyran-4-one

2-(cyclobutylmethyl)-3-hydroxypyran-4-one (PubChem CID 84657294) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-3-hydroxypyran-4-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-3-hydroxypyran-4-one
PubChem CID84657294
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(cyclobutylmethyl)-3-hydroxypyran-4-one
SMILESO=c1ccoc(CC2CCC2)c1O
InChIInChI=1S/C10H12O3/c11-8-4-5-13-9(10(8)12)6-7-2-1-3-7/h4-5,7,12H,1-3,6H2
InChIKeyWJXHGXSGKFEXOA-UHFFFAOYSA-N
XLogP1.69
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-3-hydroxypyran-4-one?
The IUPAC name of 2-(cyclobutylmethyl)-3-hydroxypyran-4-one (CID 84657294) is 2-(cyclobutylmethyl)-3-hydroxypyran-4-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-3-hydroxypyran-4-one?
The canonical SMILES for 2-(cyclobutylmethyl)-3-hydroxypyran-4-one is O=c1ccoc(CC2CCC2)c1O.
What is the InChIKey of 2-(cyclobutylmethyl)-3-hydroxypyran-4-one?
The InChIKey is WJXHGXSGKFEXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c11-8-4-5-13-9(10(8)12)6-7-2-1-3-7/h4-5,7,12H,1-3,6H2.
What are the key properties of 2-(cyclobutylmethyl)-3-hydroxypyran-4-one?
2-(cyclobutylmethyl)-3-hydroxypyran-4-one has a molecular weight of 180.20 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-3-hydroxypyran-4-one is sourced from PubChem (CID 84657294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).