4-(5-methyl-2H-pyran-2-yl)pentan-2-one

C11H16O2 — CID 22899288

IUPAC4-(5-methyl-2H-pyran-2-yl)pentan-2-one
SMILESCC(=O)CC(C)C1C=CC(C)=CO1
InChIInChI=1S/C11H16O2/c1-8-4-5-11(13-7-8)9(2)6-10(3)12/h4-5,7,9,11H,6H2,1-3H3
InChIKeyFRVJNCKBJMXUIF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.46
Rot. Bonds3

About 4-(5-methyl-2H-pyran-2-yl)pentan-2-one

4-(5-methyl-2H-pyran-2-yl)pentan-2-one (PubChem CID 22899288) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(5-methyl-2H-pyran-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-(5-methyl-2H-pyran-2-yl)pentan-2-one
PubChem CID22899288
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(5-methyl-2H-pyran-2-yl)pentan-2-one
SMILESCC(=O)CC(C)C1C=CC(C)=CO1
InChIInChI=1S/C11H16O2/c1-8-4-5-11(13-7-8)9(2)6-10(3)12/h4-5,7,9,11H,6H2,1-3H3
InChIKeyFRVJNCKBJMXUIF-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-2H-pyran-2-yl)pentan-2-one?
The IUPAC name of 4-(5-methyl-2H-pyran-2-yl)pentan-2-one (CID 22899288) is 4-(5-methyl-2H-pyran-2-yl)pentan-2-one.
What is the SMILES notation for 4-(5-methyl-2H-pyran-2-yl)pentan-2-one?
The canonical SMILES for 4-(5-methyl-2H-pyran-2-yl)pentan-2-one is CC(=O)CC(C)C1C=CC(C)=CO1.
What is the InChIKey of 4-(5-methyl-2H-pyran-2-yl)pentan-2-one?
The InChIKey is FRVJNCKBJMXUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-5-11(13-7-8)9(2)6-10(3)12/h4-5,7,9,11H,6H2,1-3H3.
What are the key properties of 4-(5-methyl-2H-pyran-2-yl)pentan-2-one?
4-(5-methyl-2H-pyran-2-yl)pentan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2H-pyran-2-yl)pentan-2-one is sourced from PubChem (CID 22899288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).