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

C8H12O2 — CID 141223605

IUPAC1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1C=COC1
InChIInChI=1S/C8H12O2/c1-6(2)8(9)7-3-4-10-5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyMBMLOLHXOOWJOE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.37
Rot. Bonds2

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

1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one (PubChem CID 141223605) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one
PubChem CID141223605
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)C1C=COC1
InChIInChI=1S/C8H12O2/c1-6(2)8(9)7-3-4-10-5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyMBMLOLHXOOWJOE-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-3H-furan-2-yl)propan-2-one
CID 15820235
1-(2,3-Dihydrofuran-3-yl)ethanone
CID 70305160
1-(3,4-dihydro-2H-pyran-3-yl)propan-1-one
CID 70524899
2-(Methoxymethyl)cyclopent-3-en-1-one
CID 70600451
3,4a-dihydro-2H-pyrano[3,4-b]pyran-4-one
CID 91346541
2-Methyl-1-(2-methyl-3-oxohex-5-enoxy)hex-5-en-3-one
CID 140688067
1-[(3R)-2,3-dihydrofuran-3-yl]ethanone
CID 141893678
1-(2,3-Dihydrofuran-3-yl)butan-1-one
CID 163447650
2,2-Dimethyl-3,5-dihydrooxepin-4-one
CID 172786172
1-(2,3-Dihydrofuran-3-yl)pentan-1-one
CID 10511067
1-Methoxy-2-methylhex-5-en-3-one
CID 44719359
1-(2-Methyl-2,3-dihydrofuran-3-yl)ethanone
CID 101032353

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one (CID 141223605) is 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one is CC(C)C(=O)C1C=COC1.
What is the InChIKey of 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one?
The InChIKey is MBMLOLHXOOWJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)8(9)7-3-4-10-5-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one?
1-(2,3-dihydrofuran-3-yl)-2-methylpropan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.37, 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-3-yl)-2-methylpropan-1-one is sourced from PubChem (CID 141223605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).