(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one

C15H18O4 — CID 14335215

IUPAC(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one
SMILESCC1=C[C@@H](C/C(C)=C/CCC2=CC(=O)OC2)OC1=O
InChIInChI=1S/C15H18O4/c1-10(6-13-7-11(2)15(17)19-13)4-3-5-12-8-14(16)18-9-12/h4,7-8,13H,3,5-6,9H2,1-2H3/b10-4+/t13-/m1/s1
InChIKeyHRKQHGYEXVCKAX-MQSIBISMSA-N
MW262.31 g/mol
LogP2.46
Rot. Bonds5

About (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one

(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one (PubChem CID 14335215) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one
PubChem CID14335215
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one
SMILESCC1=C[C@@H](C/C(C)=C/CCC2=CC(=O)OC2)OC1=O
InChIInChI=1S/C15H18O4/c1-10(6-13-7-11(2)15(17)19-13)4-3-5-12-8-14(16)18-9-12/h4,7-8,13H,3,5-6,9H2,1-2H3/b10-4+/t13-/m1/s1
InChIKeyHRKQHGYEXVCKAX-MQSIBISMSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one?
The IUPAC name of (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one (CID 14335215) is (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one?
The canonical SMILES for (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one is CC1=C[C@@H](C/C(C)=C/CCC2=CC(=O)OC2)OC1=O.
What is the InChIKey of (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one?
The InChIKey is HRKQHGYEXVCKAX-MQSIBISMSA-N. The full InChI is InChI=1S/C15H18O4/c1-10(6-13-7-11(2)15(17)19-13)4-3-5-12-8-14(16)18-9-12/h4,7-8,13H,3,5-6,9H2,1-2H3/b10-4+/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one?
(2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one has a molecular weight of 262.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(E)-2-methyl-5-(5-oxo-2H-furan-3-yl)pent-2-enyl]-2H-furan-5-one is sourced from PubChem (CID 14335215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).