4-methoxy-6-propan-2-ylpyran-2-one

C9H12O3 — CID 147687142

IUPAC4-methoxy-6-propan-2-ylpyran-2-one
SMILESCOc1cc(C(C)C)oc(=O)c1
InChIInChI=1S/C9H12O3/c1-6(2)8-4-7(11-3)5-9(10)12-8/h4-6H,1-3H3
InChIKeyGQGHTUCINFCFAC-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.77
Rot. Bonds2

About 4-methoxy-6-propan-2-ylpyran-2-one

4-methoxy-6-propan-2-ylpyran-2-one (PubChem CID 147687142) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-ylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-propan-2-ylpyran-2-one
PubChem CID147687142
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name4-methoxy-6-propan-2-ylpyran-2-one
SMILESCOc1cc(C(C)C)oc(=O)c1
InChIInChI=1S/C9H12O3/c1-6(2)8-4-7(11-3)5-9(10)12-8/h4-6H,1-3H3
InChIKeyGQGHTUCINFCFAC-UHFFFAOYSA-N
XLogP1.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-ylpyran-2-one?
The IUPAC name of 4-methoxy-6-propan-2-ylpyran-2-one (CID 147687142) is 4-methoxy-6-propan-2-ylpyran-2-one.
What is the SMILES notation for 4-methoxy-6-propan-2-ylpyran-2-one?
The canonical SMILES for 4-methoxy-6-propan-2-ylpyran-2-one is COc1cc(C(C)C)oc(=O)c1.
What is the InChIKey of 4-methoxy-6-propan-2-ylpyran-2-one?
The InChIKey is GQGHTUCINFCFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6(2)8-4-7(11-3)5-9(10)12-8/h4-6H,1-3H3.
What are the key properties of 4-methoxy-6-propan-2-ylpyran-2-one?
4-methoxy-6-propan-2-ylpyran-2-one has a molecular weight of 168.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-ylpyran-2-one is sourced from PubChem (CID 147687142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).