4-propan-2-ylpyran-2-one

C8H10O2 — CID 58655415

IUPAC4-propan-2-ylpyran-2-one
SMILESCC(C)c1ccoc(=O)c1
InChIInChI=1S/C8H10O2/c1-6(2)7-3-4-10-8(9)5-7/h3-6H,1-2H3
InChIKeyONGVEHLNILCIKL-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.76
Rot. Bonds1

About 4-propan-2-ylpyran-2-one

4-propan-2-ylpyran-2-one (PubChem CID 58655415) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-propan-2-ylpyran-2-one.

Molecular Properties

Compound Name4-propan-2-ylpyran-2-one
PubChem CID58655415
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-propan-2-ylpyran-2-one
SMILESCC(C)c1ccoc(=O)c1
InChIInChI=1S/C8H10O2/c1-6(2)7-3-4-10-8(9)5-7/h3-6H,1-2H3
InChIKeyONGVEHLNILCIKL-UHFFFAOYSA-N
XLogP1.76
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyran-2-one?
The IUPAC name of 4-propan-2-ylpyran-2-one (CID 58655415) is 4-propan-2-ylpyran-2-one.
What is the SMILES notation for 4-propan-2-ylpyran-2-one?
The canonical SMILES for 4-propan-2-ylpyran-2-one is CC(C)c1ccoc(=O)c1.
What is the InChIKey of 4-propan-2-ylpyran-2-one?
The InChIKey is ONGVEHLNILCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6(2)7-3-4-10-8(9)5-7/h3-6H,1-2H3.
What are the key properties of 4-propan-2-ylpyran-2-one?
4-propan-2-ylpyran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyran-2-one is sourced from PubChem (CID 58655415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).