1-(furan-3-yl)-4-methylpentan-3-one

C10H14O2 — CID 22573025

IUPAC1-(furan-3-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ccoc1
InChIInChI=1S/C10H14O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChIKeyAXHOACHCKBVTDS-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.44
Rot. Bonds4

About 1-(furan-3-yl)-4-methylpentan-3-one

1-(furan-3-yl)-4-methylpentan-3-one (PubChem CID 22573025) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(furan-3-yl)-4-methylpentan-3-one
PubChem CID22573025
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(furan-3-yl)-4-methylpentan-3-one
SMILESCC(C)C(=O)CCc1ccoc1
InChIInChI=1S/C10H14O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-8H,3-4H2,1-2H3
InChIKeyAXHOACHCKBVTDS-UHFFFAOYSA-N
XLogP2.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-4-methylpentan-3-one?
The IUPAC name of 1-(furan-3-yl)-4-methylpentan-3-one (CID 22573025) is 1-(furan-3-yl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(furan-3-yl)-4-methylpentan-3-one?
The canonical SMILES for 1-(furan-3-yl)-4-methylpentan-3-one is CC(C)C(=O)CCc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-4-methylpentan-3-one?
The InChIKey is AXHOACHCKBVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)10(11)4-3-9-5-6-12-7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-4-methylpentan-3-one?
1-(furan-3-yl)-4-methylpentan-3-one has a molecular weight of 166.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-4-methylpentan-3-one is sourced from PubChem (CID 22573025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).