8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one

C20H24O6 — CID 24871254

IUPAC8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one
SMILESCOC1=C(OC/C=C(\C)CC2C=C(C)C(=O)O2)CCC2=C1OC(=O)CC2
InChIInChI=1S/C20H24O6/c1-12(10-15-11-13(2)20(22)25-15)8-9-24-16-6-4-14-5-7-17(21)26-18(14)19(16)23-3/h8,11,15H,4-7,9-10H2,1-3H3/b12-8+
InChIKeyPIGCXKHXNRTCSQ-XYOKQWHBSA-N
MW360.41 g/mol
LogP3.45
Rot. Bonds6

About 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one

8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one (PubChem CID 24871254) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one.

Molecular Properties

Compound Name8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one
PubChem CID24871254
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one
SMILESCOC1=C(OC/C=C(\C)CC2C=C(C)C(=O)O2)CCC2=C1OC(=O)CC2
InChIInChI=1S/C20H24O6/c1-12(10-15-11-13(2)20(22)25-15)8-9-24-16-6-4-14-5-7-17(21)26-18(14)19(16)23-3/h8,11,15H,4-7,9-10H2,1-3H3/b12-8+
InChIKeyPIGCXKHXNRTCSQ-XYOKQWHBSA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one?
The IUPAC name of 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one (CID 24871254) is 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one.
What is the SMILES notation for 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one?
The canonical SMILES for 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one is COC1=C(OC/C=C(\C)CC2C=C(C)C(=O)O2)CCC2=C1OC(=O)CC2.
What is the InChIKey of 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one?
The InChIKey is PIGCXKHXNRTCSQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C20H24O6/c1-12(10-15-11-13(2)20(22)25-15)8-9-24-16-6-4-14-5-7-17(21)26-18(14)19(16)23-3/h8,11,15H,4-7,9-10H2,1-3H3/b12-8+.
What are the key properties of 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one?
8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one has a molecular weight of 360.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7-[(E)-3-methyl-4-(4-methyl-5-oxo-2H-furan-2-yl)but-2-enoxy]-3,4,5,6-tetrahydrochromen-2-one is sourced from PubChem (CID 24871254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).