carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron

C23H26FeO9 — CID 10864041

About carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron

carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron (PubChem CID 10864041) has the molecular formula C23H26FeO9 and a molecular weight of 502.30 g/mol. Its IUPAC name is carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron.

Molecular Properties

• Compound Name: carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron
• PubChem CID: 10864041
• Molecular Formula: C23H26FeO9
• Molecular Weight: 502.30 g/mol
• Exact Mass: 502.09
• IUPAC Name: carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron
• SMILES: C=C[C@H](/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C=C)C1C(=O)OC(C)(C)OC1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
• InChI: InChI=1S/C20H26O6.3CO.Fe/c1-7-13(3)16(24-14(4)21)12-10-9-11-15(8-2)17-18(22)25-20(5,6)26-19(17)23;3*1-2;/h7-13,15-17H,1-2H2,3-6H3;;;;/b11-9+,12-10+;;;;/t13-,15-,16+;;;;/m1..../s1
• InChIKey: LRZVHHLPACPZIJ-RERLHBEKSA-N
• XLogP: 2.99
• TPSA: 138.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.30
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron?

The IUPAC name of carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron (CID 10864041) is carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron.

What is the SMILES notation for carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron?

The canonical SMILES for carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron is C=C[C@H](/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C=C)C1C(=O)OC(C)(C)OC1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].

What is the InChIKey of carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron?

The InChIKey is LRZVHHLPACPZIJ-RERLHBEKSA-N. The full InChI is InChI=1S/C20H26O6.3CO.Fe/c1-7-13(3)16(24-14(4)21)12-10-9-11-15(8-2)17-18(22)25-20(5,6)26-19(17)23;3*1-2;/h7-13,15-17H,1-2H2,3-6H3;;;;/b11-9+,12-10+;;;;/t13-,15-,16+;;;;/m1..../s1.

What are the key properties of carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron?

carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron has a molecular weight of 502.30 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;[(3R,4S,5E,7E,9R)-9-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-methylundeca-1,5,7,10-tetraen-4-yl] acetate;iron is sourced from PubChem (CID 10864041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).