5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one

C15H20O3 — CID 147480701

IUPAC5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one
SMILESCC(=O)CCC(c1ccc(C)o1)C1CC=C(C)O1
InChIInChI=1S/C15H20O3/c1-10(16)4-7-13(14-8-5-11(2)17-14)15-9-6-12(3)18-15/h5-6,8,13,15H,4,7,9H2,1-3H3
InChIKeyFDOQMUSDHAJURY-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.73
Rot. Bonds5

About 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one

5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one (PubChem CID 147480701) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one.

Molecular Properties

Compound Name5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one
PubChem CID147480701
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one
SMILESCC(=O)CCC(c1ccc(C)o1)C1CC=C(C)O1
InChIInChI=1S/C15H20O3/c1-10(16)4-7-13(14-8-5-11(2)17-14)15-9-6-12(3)18-15/h5-6,8,13,15H,4,7,9H2,1-3H3
InChIKeyFDOQMUSDHAJURY-UHFFFAOYSA-N
XLogP3.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one?
The IUPAC name of 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one (CID 147480701) is 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one.
What is the SMILES notation for 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one?
The canonical SMILES for 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one is CC(=O)CCC(c1ccc(C)o1)C1CC=C(C)O1.
What is the InChIKey of 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one?
The InChIKey is FDOQMUSDHAJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(16)4-7-13(14-8-5-11(2)17-14)15-9-6-12(3)18-15/h5-6,8,13,15H,4,7,9H2,1-3H3.
What are the key properties of 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one?
5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one has a molecular weight of 248.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2,3-dihydrofuran-2-yl)-5-(5-methylfuran-2-yl)pentan-2-one is sourced from PubChem (CID 147480701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).