5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one

C25H34O4 — CID 163082044

IUPAC5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one
SMILESCC(=CC=C[C@@H](C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O)CCCc1ccoc1
InChIInChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,14-18,20,26H,6-7,10-13H2,1-4H3/t18-,20-/m1/s1
InChIKeyXZFNRHCNBWUYAM-UYAOXDASSA-N
MW398.54 g/mol
LogP6.82
Rot. Bonds11

About 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one

5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one (PubChem CID 163082044) has the molecular formula C25H34O4 and a molecular weight of 398.54 g/mol. Its IUPAC name is 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one.

Molecular Properties

Compound Name5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one
PubChem CID163082044
Molecular FormulaC25H34O4
Molecular Weight398.54 g/mol
Exact Mass398.25
IUPAC Name5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one
SMILESCC(=CC=C[C@@H](C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O)CCCc1ccoc1
InChIInChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,14-18,20,26H,6-7,10-13H2,1-4H3/t18-,20-/m1/s1
InChIKeyXZFNRHCNBWUYAM-UYAOXDASSA-N
XLogP6.82
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one?
The IUPAC name of 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one (CID 163082044) is 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one.
What is the SMILES notation for 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one?
The canonical SMILES for 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one is CC(=CC=C[C@@H](C)CCC[C@@H](C)C=C1OC(=O)C(C)=C1O)CCCc1ccoc1.
What is the InChIKey of 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one?
The InChIKey is XZFNRHCNBWUYAM-UYAOXDASSA-N. The full InChI is InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h5,8-9,14-18,20,26H,6-7,10-13H2,1-4H3/t18-,20-/m1/s1.
What are the key properties of 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one?
5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one has a molecular weight of 398.54 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6S)-13-(furan-3-yl)-2,6,10-trimethyltrideca-7,9-dienylidene]-4-hydroxy-3-methylfuran-2-one is sourced from PubChem (CID 163082044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).