5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one

C10H14O4 — CID 10352700

IUPAC5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one
SMILESCCCc1oc(=O)cc(OC)c1CO
InChIInChI=1S/C10H14O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,11H,3-4,6H2,1-2H3
InChIKeyZWMLESXRXFUSQE-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.09
Rot. Bonds4

About 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one

5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one (PubChem CID 10352700) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one
PubChem CID10352700
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one
SMILESCCCc1oc(=O)cc(OC)c1CO
InChIInChI=1S/C10H14O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,11H,3-4,6H2,1-2H3
InChIKeyZWMLESXRXFUSQE-UHFFFAOYSA-N
XLogP1.09
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one (CID 10352700) is 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one is CCCc1oc(=O)cc(OC)c1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one?
The InChIKey is ZWMLESXRXFUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-4-8-7(6-11)9(13-2)5-10(12)14-8/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one?
5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one has a molecular weight of 198.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-methoxy-6-propylpyran-2-one is sourced from PubChem (CID 10352700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).