1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one

C9H14O2 — CID 130579240

IUPAC1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1=COCC1
InChIInChI=1S/C9H14O2/c1-3-7(2)9(10)8-4-5-11-6-8/h6-7H,3-5H2,1-2H3
InChIKeyWQJCFVOKSWQQEU-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one

1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one (PubChem CID 130579240) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one
PubChem CID130579240
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C1=COCC1
InChIInChI=1S/C9H14O2/c1-3-7(2)9(10)8-4-5-11-6-8/h6-7H,3-5H2,1-2H3
InChIKeyWQJCFVOKSWQQEU-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dihydrofuran-4-yl)-2-fluoro-2-methylpropan-1-one
CID 130579835
3-Methyl-1-(2-methylideneoxolan-3-yl)but-3-en-2-one
CID 144794351
4-(2-Methylpropyl)furan-3-one
CID 13759280
3-Methyl-1-(oxolan-3-yl)but-3-en-2-one
CID 103986347
1-(2,3-Dihydrofuran-4-yl)-2-methylpropan-1-one
CID 130579192
Cyclopentyl(2,3-dihydrofuran-4-yl)methanone
CID 130579207
2,3-Dihydrofuran-4-yl-(4-methylcyclohexyl)methanone
CID 130579220
1-(2,3-Dihydrofuran-4-yl)-3,3-dimethylbutan-1-one
CID 130579242
Cyclobutyl(2,3-dihydrofuran-4-yl)methanone
CID 130579251
2,3-Dihydrofuran-4-yl(oxan-4-yl)methanone
CID 130579259
2,3-Dihydrofuran-4-yl-(4-ethylcyclohexyl)methanone
CID 130579264
2,3-Dihydrofuran-4-yl-(3-ethylcyclopentyl)methanone
CID 130579270

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one (CID 130579240) is 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one is CCC(C)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one?
The InChIKey is WQJCFVOKSWQQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7(2)9(10)8-4-5-11-6-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one?
1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-2-methylbutan-1-one is sourced from PubChem (CID 130579240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).