(5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one

C26H32O7 — CID 54704110

IUPAC(5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one
SMILESCOC1(Cc2ccoc2)C=C(CCC/C(C)=C\CCC(C)/C=C2\OC(=O)C(C)=C2O)C(=O)O1
InChIInChI=1S/C26H32O7/c1-17(7-5-9-18(2)13-22-23(27)19(3)24(28)32-22)8-6-10-21-15-26(30-4,33-25(21)29)14-20-11-12-31-16-20/h7,11-13,15-16,18,27H,5-6,8-10,14H2,1-4H3/b17-7-,22-13-
InChIKeyVBKLXPVCFCAJHW-PRFXLUSKSA-N
MW456.54 g/mol
LogP5.45
Rot. Bonds11

About (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one

(5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one (PubChem CID 54704110) has the molecular formula C26H32O7 and a molecular weight of 456.54 g/mol. Its IUPAC name is (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one
PubChem CID54704110
Molecular FormulaC26H32O7
Molecular Weight456.54 g/mol
Exact Mass456.21
IUPAC Name(5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one
SMILESCOC1(Cc2ccoc2)C=C(CCC/C(C)=C\CCC(C)/C=C2\OC(=O)C(C)=C2O)C(=O)O1
InChIInChI=1S/C26H32O7/c1-17(7-5-9-18(2)13-22-23(27)19(3)24(28)32-22)8-6-10-21-15-26(30-4,33-25(21)29)14-20-11-12-31-16-20/h7,11-13,15-16,18,27H,5-6,8-10,14H2,1-4H3/b17-7-,22-13-
InChIKeyVBKLXPVCFCAJHW-PRFXLUSKSA-N
XLogP5.45
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one?
The IUPAC name of (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one (CID 54704110) is (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one.
What is the SMILES notation for (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one?
The canonical SMILES for (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one is COC1(Cc2ccoc2)C=C(CCC/C(C)=C\CCC(C)/C=C2\OC(=O)C(C)=C2O)C(=O)O1.
What is the InChIKey of (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one?
The InChIKey is VBKLXPVCFCAJHW-PRFXLUSKSA-N. The full InChI is InChI=1S/C26H32O7/c1-17(7-5-9-18(2)13-22-23(27)19(3)24(28)32-22)8-6-10-21-15-26(30-4,33-25(21)29)14-20-11-12-31-16-20/h7,11-13,15-16,18,27H,5-6,8-10,14H2,1-4H3/b17-7-,22-13-.
What are the key properties of (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one?
(5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one has a molecular weight of 456.54 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(Z)-9-[5-(furan-3-ylmethyl)-5-methoxy-2-oxofuran-3-yl]-2,6-dimethylnon-5-enylidene]-4-hydroxy-3-methylfuran-2-one is sourced from PubChem (CID 54704110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).