2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one

C12H16O4 — CID 15054605

IUPAC2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one
SMILESO=C1C=CC(/C=C/COC2CCCCO2)O1
InChIInChI=1S/C12H16O4/c13-11-7-6-10(16-11)4-3-9-15-12-5-1-2-8-14-12/h3-4,6-7,10,12H,1-2,5,8-9H2/b4-3+
InChIKeyCYUKWPRINDKDAB-ONEGZZNKSA-N
MW224.26 g/mol
LogP1.57
Rot. Bonds4

About 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one

2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one (PubChem CID 15054605) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one
PubChem CID15054605
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one
SMILESO=C1C=CC(/C=C/COC2CCCCO2)O1
InChIInChI=1S/C12H16O4/c13-11-7-6-10(16-11)4-3-9-15-12-5-1-2-8-14-12/h3-4,6-7,10,12H,1-2,5,8-9H2/b4-3+
InChIKeyCYUKWPRINDKDAB-ONEGZZNKSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-yloxymethyl)-2H-furan-5-one
CID 14432035
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
(2R)-2-[(E)-pent-2-en-4-ynoxy]oxane
CID 95562312
(2R)-2-[(E)-5-bromopent-2-enoxy]oxane
CID 125476035
2-[(E)-5-iodopent-2-enoxy]oxane
CID 12871483
1-[4-[(E)-3-(oxan-2-yloxy)prop-1-enyl]phenyl]ethanone
CID 11817824
2-but-2-enoxyoxolane
CID 86088707
6-[(E)-3-[(2R)-oxan-2-yl]oxyprop-1-enyl]pyridine-2-carbaldehyde
CID 26384987
2-[(E)-hept-2-en-6-ynoxy]oxane
CID 14728076
2-[(E)-hept-2-enoxy]oxane
CID 12861157
(E)-7-(oxan-2-yloxy)hept-5-en-2-one
CID 10632332

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one?
The IUPAC name of 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one (CID 15054605) is 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one.
What is the SMILES notation for 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one?
The canonical SMILES for 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one is O=C1C=CC(/C=C/COC2CCCCO2)O1.
What is the InChIKey of 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one?
The InChIKey is CYUKWPRINDKDAB-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H16O4/c13-11-7-6-10(16-11)4-3-9-15-12-5-1-2-8-14-12/h3-4,6-7,10,12H,1-2,5,8-9H2/b4-3+.
What are the key properties of 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one?
2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one has a molecular weight of 224.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 15054605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).