(11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

C30H50O8 — CID 12782926

About (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

(11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (PubChem CID 12782926) has the molecular formula C30H50O8 and a molecular weight of 538.72 g/mol. Its IUPAC name is (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.

Molecular Properties

• Compound Name: (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
• PubChem CID: 12782926
• Molecular Formula: C30H50O8
• Molecular Weight: 538.72 g/mol
• Exact Mass: 538.35
• IUPAC Name: (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
• SMILES: CCC1CC(C)C(=O)/C=C/C(C)=C/C(C)C(CC)OC(=O)CC(O)C(C)C1OC1CC(C)(O)C(O)C(C)O1
• InChI: InChI=1S/C30H50O8/c1-9-22-14-18(4)23(31)12-11-17(3)13-19(5)25(10-2)37-26(33)15-24(32)20(6)28(22)38-27-16-30(8,35)29(34)21(7)36-27/h11-13,18-22,24-25,27-29,32,34-35H,9-10,14-16H2,1-8H3/b12-11+,17-13+
• InChIKey: VDKUUCYALVPBEM-AETJLUGGSA-N
• XLogP: 4.10
• TPSA: 122.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.72
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?

The IUPAC name of (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (CID 12782926) is (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.

What is the SMILES notation for (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?

The canonical SMILES for (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is CCC1CC(C)C(=O)/C=C/C(C)=C/C(C)C(CC)OC(=O)CC(O)C(C)C1OC1CC(C)(O)C(O)C(C)O1.

What is the InChIKey of (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?

The InChIKey is VDKUUCYALVPBEM-AETJLUGGSA-N. The full InChI is InChI=1S/C30H50O8/c1-9-22-14-18(4)23(31)12-11-17(3)13-19(5)25(10-2)37-26(33)15-24(32)20(6)28(22)38-27-16-30(8,35)29(34)21(7)36-27/h11-13,18-22,24-25,27-29,32,34-35H,9-10,14-16H2,1-8H3/b12-11+,17-13+.

What are the key properties of (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?

(11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione has a molecular weight of 538.72 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (11E,13E)-6-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is sourced from PubChem (CID 12782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).