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

C8H12O2 — CID 130579192

IUPAC1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=COCC1
InChIInChI=1S/C8H12O2/c1-6(2)8(9)7-3-4-10-5-7/h5-6H,3-4H2,1-2H3
InChIKeyOVYSZHABWOGVSM-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds2

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

1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one (PubChem CID 130579192) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
PubChem CID130579192
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1=COCC1
InChIInChI=1S/C8H12O2/c1-6(2)8(9)7-3-4-10-5-7/h5-6H,3-4H2,1-2H3
InChIKeyOVYSZHABWOGVSM-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
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
2-Methyl-4-(2-methylpropyl)furan-3-one
CID 13759285
1-(2,3-Dihydrofuran-4-yl)propane-1,2-dione
CID 117713990
4-(2,2-Dimethylpropyl)furan-3-one
CID 118013504
6-Methoxy-2-methyl-4-methylidenehex-1-en-3-one
CID 122610039
4-(2-Methylpropyl)furan-3-one
CID 13759280
6-Methoxy-2,4-dimethylhex-1-en-3-one
CID 103446487
6-Methoxy-2,5-dimethylhex-1-en-3-one
CID 105113110
1-(2,3-Dihydrofuran-4-yl)propan-1-one
CID 130579196
1-(2,3-Dihydrofuran-4-yl)-2-methylbutan-1-one
CID 130579240
1-(2,3-Dihydrofuran-4-yl)-3,3-dimethylbutan-1-one
CID 130579242
Cyclobutyl(2,3-dihydrofuran-4-yl)methanone
CID 130579251

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one (CID 130579192) is 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one is CC(C)C(=O)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
The InChIKey is OVYSZHABWOGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)8(9)7-3-4-10-5-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one?
1-(2,3-dihydrofuran-4-yl)-2-methylpropan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 2 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-methylpropan-1-one is sourced from PubChem (CID 130579192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).