3,5-bis(prop-2-enyl)-3H-furan-2-one

C10H12O2 — CID 67682780

IUPAC3,5-bis(prop-2-enyl)-3H-furan-2-one
SMILESC=CCC1=CC(CC=C)C(=O)O1
InChIInChI=1S/C10H12O2/c1-3-5-8-7-9(6-4-2)12-10(8)11/h3-4,7-8H,1-2,5-6H2
InChIKeyZUMRSJVSUIJHSV-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.20
Rot. Bonds4

About 3,5-bis(prop-2-enyl)-3H-furan-2-one

3,5-bis(prop-2-enyl)-3H-furan-2-one (PubChem CID 67682780) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3,5-bis(prop-2-enyl)-3H-furan-2-one.

Molecular Properties

Compound Name3,5-bis(prop-2-enyl)-3H-furan-2-one
PubChem CID67682780
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3,5-bis(prop-2-enyl)-3H-furan-2-one
SMILESC=CCC1=CC(CC=C)C(=O)O1
InChIInChI=1S/C10H12O2/c1-3-5-8-7-9(6-4-2)12-10(8)11/h3-4,7-8H,1-2,5-6H2
InChIKeyZUMRSJVSUIJHSV-UHFFFAOYSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.20
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 3,5-bis(prop-2-enyl)-3H-furan-2-one?
The IUPAC name of 3,5-bis(prop-2-enyl)-3H-furan-2-one (CID 67682780) is 3,5-bis(prop-2-enyl)-3H-furan-2-one.
What is the SMILES notation for 3,5-bis(prop-2-enyl)-3H-furan-2-one?
The canonical SMILES for 3,5-bis(prop-2-enyl)-3H-furan-2-one is C=CCC1=CC(CC=C)C(=O)O1.
What is the InChIKey of 3,5-bis(prop-2-enyl)-3H-furan-2-one?
The InChIKey is ZUMRSJVSUIJHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-5-8-7-9(6-4-2)12-10(8)11/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 3,5-bis(prop-2-enyl)-3H-furan-2-one?
3,5-bis(prop-2-enyl)-3H-furan-2-one has a molecular weight of 164.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(prop-2-enyl)-3H-furan-2-one is sourced from PubChem (CID 67682780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).