(10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione

C25H38O5 — CID 11270061

IUPAC(10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione
SMILESCC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1O
InChIInChI=1S/C25H38O5/c1-18(11-7-13-21-17-23(28)30-24(21)29)9-6-10-19(2)14-15-22(27)25(4,5)16-8-12-20(3)26/h10-11,17,24,29H,6-9,12-16H2,1-5H3/b18-11+,19-10+
InChIKeyVJORARHIZPYLAR-QZPYEDBESA-N
MW418.57 g/mol
LogP5.38
Rot. Bonds14

About (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione

(10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione (PubChem CID 11270061) has the molecular formula C25H38O5 and a molecular weight of 418.57 g/mol. Its IUPAC name is (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione.

Molecular Properties

Compound Name(10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione
PubChem CID11270061
Molecular FormulaC25H38O5
Molecular Weight418.57 g/mol
Exact Mass418.27
IUPAC Name(10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione
SMILESCC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1O
InChIInChI=1S/C25H38O5/c1-18(11-7-13-21-17-23(28)30-24(21)29)9-6-10-19(2)14-15-22(27)25(4,5)16-8-12-20(3)26/h10-11,17,24,29H,6-9,12-16H2,1-5H3/b18-11+,19-10+
InChIKeyVJORARHIZPYLAR-QZPYEDBESA-N
XLogP5.38
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione?
The IUPAC name of (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione (CID 11270061) is (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione.
What is the SMILES notation for (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione?
The canonical SMILES for (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione is CC(=O)CCCC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/CCC1=CC(=O)OC1O.
What is the InChIKey of (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione?
The InChIKey is VJORARHIZPYLAR-QZPYEDBESA-N. The full InChI is InChI=1S/C25H38O5/c1-18(11-7-13-21-17-23(28)30-24(21)29)9-6-10-19(2)14-15-22(27)25(4,5)16-8-12-20(3)26/h10-11,17,24,29H,6-9,12-16H2,1-5H3/b18-11+,19-10+.
What are the key properties of (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione?
(10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione has a molecular weight of 418.57 g/mol, XLogP of 5.38, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,14E)-17-(2-hydroxy-5-oxo-2H-furan-3-yl)-6,6,10,14-tetramethylheptadeca-10,14-diene-2,7-dione is sourced from PubChem (CID 11270061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).