4-methyl-4-(5-methylfuran-2-yl)pentan-2-one

C11H16O2 — CID 3015588

IUPAC4-methyl-4-(5-methylfuran-2-yl)pentan-2-one
SMILESCC(=O)CC(C)(C)c1ccc(C)o1
InChIInChI=1S/C11H16O2/c1-8(12)7-11(3,4)10-6-5-9(2)13-10/h5-6H,7H2,1-4H3
InChIKeyQCAUMBKKZVOPPF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one

4-methyl-4-(5-methylfuran-2-yl)pentan-2-one (PubChem CID 3015588) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one.

Molecular Properties

Compound Name4-methyl-4-(5-methylfuran-2-yl)pentan-2-one
PubChem CID3015588
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-methyl-4-(5-methylfuran-2-yl)pentan-2-one
SMILESCC(=O)CC(C)(C)c1ccc(C)o1
InChIInChI=1S/C11H16O2/c1-8(12)7-11(3,4)10-6-5-9(2)13-10/h5-6H,7H2,1-4H3
InChIKeyQCAUMBKKZVOPPF-UHFFFAOYSA-N
XLogP2.84
TPSA30.21 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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one?
The IUPAC name of 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one (CID 3015588) is 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one.
What is the SMILES notation for 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one?
The canonical SMILES for 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one is CC(=O)CC(C)(C)c1ccc(C)o1.
What is the InChIKey of 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one?
The InChIKey is QCAUMBKKZVOPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8(12)7-11(3,4)10-6-5-9(2)13-10/h5-6H,7H2,1-4H3.
What are the key properties of 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one?
4-methyl-4-(5-methylfuran-2-yl)pentan-2-one has a molecular weight of 180.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one is sourced from PubChem (CID 3015588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).