4-(2,5-dihydrofuran-2-yl)butan-2-one

C8H12O2 — CID 168911268

IUPAC4-(2,5-dihydrofuran-2-yl)butan-2-one
SMILESCC(=O)CCC1C=CCO1
InChIInChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,8H,4-6H2,1H3
InChIKeyVSOXNQMWFZZRRU-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds3

About 4-(2,5-dihydrofuran-2-yl)butan-2-one

4-(2,5-dihydrofuran-2-yl)butan-2-one (PubChem CID 168911268) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-(2,5-dihydrofuran-2-yl)butan-2-one.

Molecular Properties

Compound Name4-(2,5-dihydrofuran-2-yl)butan-2-one
PubChem CID168911268
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-(2,5-dihydrofuran-2-yl)butan-2-one
SMILESCC(=O)CCC1C=CCO1
InChIInChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,8H,4-6H2,1H3
InChIKeyVSOXNQMWFZZRRU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydrofuran-2-yl)butan-2-one?
The IUPAC name of 4-(2,5-dihydrofuran-2-yl)butan-2-one (CID 168911268) is 4-(2,5-dihydrofuran-2-yl)butan-2-one.
What is the SMILES notation for 4-(2,5-dihydrofuran-2-yl)butan-2-one?
The canonical SMILES for 4-(2,5-dihydrofuran-2-yl)butan-2-one is CC(=O)CCC1C=CCO1.
What is the InChIKey of 4-(2,5-dihydrofuran-2-yl)butan-2-one?
The InChIKey is VSOXNQMWFZZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h2-3,8H,4-6H2,1H3.
What are the key properties of 4-(2,5-dihydrofuran-2-yl)butan-2-one?
4-(2,5-dihydrofuran-2-yl)butan-2-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 4-(2,5-dihydrofuran-2-yl)butan-2-one is sourced from PubChem (CID 168911268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).