4-methoxy-6-pentanoylpyran-2-one

C11H14O4 — CID 102306810

IUPAC4-methoxy-6-pentanoylpyran-2-one
SMILESCCCCC(=O)c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H14O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h6-7H,3-5H2,1-2H3
InChIKeyDZUYEGKOFOIBIT-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.02
Rot. Bonds5

About 4-methoxy-6-pentanoylpyran-2-one

4-methoxy-6-pentanoylpyran-2-one (PubChem CID 102306810) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-methoxy-6-pentanoylpyran-2-one.

Molecular Properties

Compound Name4-methoxy-6-pentanoylpyran-2-one
PubChem CID102306810
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name4-methoxy-6-pentanoylpyran-2-one
SMILESCCCCC(=O)c1cc(OC)cc(=O)o1
InChIInChI=1S/C11H14O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h6-7H,3-5H2,1-2H3
InChIKeyDZUYEGKOFOIBIT-UHFFFAOYSA-N
XLogP2.02
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-pentanoylpyran-2-one?
The IUPAC name of 4-methoxy-6-pentanoylpyran-2-one (CID 102306810) is 4-methoxy-6-pentanoylpyran-2-one.
What is the SMILES notation for 4-methoxy-6-pentanoylpyran-2-one?
The canonical SMILES for 4-methoxy-6-pentanoylpyran-2-one is CCCCC(=O)c1cc(OC)cc(=O)o1.
What is the InChIKey of 4-methoxy-6-pentanoylpyran-2-one?
The InChIKey is DZUYEGKOFOIBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-6-pentanoylpyran-2-one?
4-methoxy-6-pentanoylpyran-2-one has a molecular weight of 210.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-pentanoylpyran-2-one is sourced from PubChem (CID 102306810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).