8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one

C30H44O6 — CID 123844276

About 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one

8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one (PubChem CID 123844276) has the molecular formula C30H44O6 and a molecular weight of 500.68 g/mol. Its IUPAC name is 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one.

Molecular Properties

• Compound Name: 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one
• PubChem CID: 123844276
• Molecular Formula: C30H44O6
• Molecular Weight: 500.68 g/mol
• Exact Mass: 500.31
• IUPAC Name: 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one
• SMILES: CCC1(C)CC(C)(C)C(=COC2C=C(C)C(=O)O2)C(=O)OC2C3=C(CCCCCCCC3)C(O)C21C
• InChI: InChI=1S/C30H44O6/c1-7-29(5)18-28(3,4)22(17-34-23-16-19(2)26(32)35-23)27(33)36-25-21-15-13-11-9-8-10-12-14-20(21)24(31)30(25,29)6/h16-17,23-25,31H,7-15,18H2,1-6H3
• InChIKey: KAGMMHXRSDJIOL-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.68
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one?

The IUPAC name of 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one (CID 123844276) is 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one.

What is the SMILES notation for 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one?

The canonical SMILES for 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one is CCC1(C)CC(C)(C)C(=COC2C=C(C)C(=O)O2)C(=O)OC2C3=C(CCCCCCCC3)C(O)C21C.

What is the InChIKey of 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one?

The InChIKey is KAGMMHXRSDJIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44O6/c1-7-29(5)18-28(3,4)22(17-34-23-16-19(2)26(32)35-23)27(33)36-25-21-15-13-11-9-8-10-12-14-20(21)24(31)30(25,29)6/h16-17,23-25,31H,7-15,18H2,1-6H3.

What are the key properties of 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one?

8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one has a molecular weight of 500.68 g/mol, XLogP of 6.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-10-hydroxy-6,6,8,9-tetramethyl-5-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-3-oxatricyclo[9.8.0.02,9]nonadec-1(11)-en-4-one is sourced from PubChem (CID 123844276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).