1-(2,5-dihydrofuran-3-yl)butan-1-one

C8H12O2 — CID 168905853

IUPAC1-(2,5-dihydrofuran-3-yl)butan-1-one
SMILESCCCC(=O)C1=CCOC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)7-4-5-10-6-7/h4H,2-3,5-6H2,1H3
InChIKeyVMHVBFUMNKRNMS-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds3

About 1-(2,5-dihydrofuran-3-yl)butan-1-one

1-(2,5-dihydrofuran-3-yl)butan-1-one (PubChem CID 168905853) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-(2,5-dihydrofuran-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(2,5-dihydrofuran-3-yl)butan-1-one
PubChem CID168905853
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-(2,5-dihydrofuran-3-yl)butan-1-one
SMILESCCCC(=O)C1=CCOC1
InChIInChI=1S/C8H12O2/c1-2-3-8(9)7-4-5-10-6-7/h4H,2-3,5-6H2,1H3
InChIKeyVMHVBFUMNKRNMS-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,6-dihydro-2H-pyran-5-yl)propan-1-one
CID 154189546
tert-butyl 2,5-dihydrofuran-3-carboxylate
CID 11206018
fluoro 2,5-dihydrofuran-3-carboxylate
CID 144715610
1-(4-methylcyclohexa-1,3-dien-1-yl)butan-1-one
CID 143214940
2,6-di(butanoyl)cyclohexa-2,5-dien-1-one
CID 150675365
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
6-butanoyl-4-ethyl-4,7-dihydro-1H-isochromene-3,8-dione
CID 163646056
1-phenylbutan-1-one
CID 10315
1-(cyclopenten-1-yl)tridecan-1-one
CID 103448100
1-[(1Z,6E,8Z)-7-bromo-8-methylcyclonona-1,6,8-trien-1-yl]butan-1-one
CID 171555454
1-(2-bromo-4-morpholin-4-yl-5H-cyclopenta[d]pyrimidin-6-yl)butan-1-one
CID 167214169
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydrofuran-3-yl)butan-1-one?
The IUPAC name of 1-(2,5-dihydrofuran-3-yl)butan-1-one (CID 168905853) is 1-(2,5-dihydrofuran-3-yl)butan-1-one.
What is the SMILES notation for 1-(2,5-dihydrofuran-3-yl)butan-1-one?
The canonical SMILES for 1-(2,5-dihydrofuran-3-yl)butan-1-one is CCCC(=O)C1=CCOC1.
What is the InChIKey of 1-(2,5-dihydrofuran-3-yl)butan-1-one?
The InChIKey is VMHVBFUMNKRNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-3-8(9)7-4-5-10-6-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,5-dihydrofuran-3-yl)butan-1-one?
1-(2,5-dihydrofuran-3-yl)butan-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydrofuran-3-yl)butan-1-one is sourced from PubChem (CID 168905853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).