1-(furan-3-yl)-3,3-dimethylbutan-1-one

C10H14O2 — CID 63948156

IUPAC1-(furan-3-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1ccoc1
InChIInChI=1S/C10H14O2/c1-10(2,3)6-9(11)8-4-5-12-7-8/h4-5,7H,6H2,1-3H3
InChIKeyYRZOTFFOADTSFG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.90
Rot. Bonds2

About 1-(furan-3-yl)-3,3-dimethylbutan-1-one

1-(furan-3-yl)-3,3-dimethylbutan-1-one (PubChem CID 63948156) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(furan-3-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3,3-dimethylbutan-1-one
PubChem CID63948156
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(furan-3-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)c1ccoc1
InChIInChI=1S/C10H14O2/c1-10(2,3)6-9(11)8-4-5-12-7-8/h4-5,7H,6H2,1-3H3
InChIKeyYRZOTFFOADTSFG-UHFFFAOYSA-N
XLogP2.90
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.90
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)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(furan-3-yl)-3,3-dimethylbutan-1-one (CID 63948156) is 1-(furan-3-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(furan-3-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(furan-3-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3,3-dimethylbutan-1-one?
The InChIKey is YRZOTFFOADTSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2,3)6-9(11)8-4-5-12-7-8/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-3,3-dimethylbutan-1-one?
1-(furan-3-yl)-3,3-dimethylbutan-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 63948156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).