(2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one

C11H12O2 — CID 10965058

IUPAC(2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
SMILESC=C/C=C/[C@@H]1C=C(/C=C/C)C(=O)O1
InChIInChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8,10H,1H2,2H3/b6-4+,7-5+/t10-/m1/s1
InChIKeyQGERFWROLPOCAG-YZABNELQSA-N
MW176.21 g/mol
LogP2.16
Rot. Bonds3

About (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one

(2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one (PubChem CID 10965058) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
PubChem CID10965058
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name(2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one
SMILESC=C/C=C/[C@@H]1C=C(/C=C/C)C(=O)O1
InChIInChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8,10H,1H2,2H3/b6-4+,7-5+/t10-/m1/s1
InChIKeyQGERFWROLPOCAG-YZABNELQSA-N
XLogP2.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one (CID 10965058) is (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one is C=C/C=C/[C@@H]1C=C(/C=C/C)C(=O)O1.
What is the InChIKey of (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one?
The InChIKey is QGERFWROLPOCAG-YZABNELQSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8,10H,1H2,2H3/b6-4+,7-5+/t10-/m1/s1.
What are the key properties of (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one?
(2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one has a molecular weight of 176.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1E)-buta-1,3-dienyl]-4-[(E)-prop-1-enyl]-2H-furan-5-one is sourced from PubChem (CID 10965058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).