(3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron

C25H38FeO5Si — CID 11272034

About (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron

(3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron (PubChem CID 11272034) has the molecular formula C25H38FeO5Si and a molecular weight of 502.51 g/mol. Its IUPAC name is (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron.

Molecular Properties

• Compound Name: (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron
• PubChem CID: 11272034
• Molecular Formula: C25H38FeO5Si
• Molecular Weight: 502.51 g/mol
• Exact Mass: 502.18
• IUPAC Name: (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron
• SMILES: CCCCC[C@@H](/C=C/C=C/C=C/C=C/C(C)=O)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
• InChI: InChI=1S/C22H38O2Si.3CO.Fe/c1-8-9-14-18-21(24-25(6,7)22(3,4)5)19-16-13-11-10-12-15-17-20(2)23;3*1-2;/h10-13,15-17,19,21H,8-9,14,18H2,1-7H3;;;;/b12-10+,13-11+,17-15+,19-16+;;;;/t21-;;;;/m0..../s1
• InChIKey: MOTIOWDYHZOJRA-WITZECOBSA-N
• XLogP: 6.66
• TPSA: 86.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron?

The IUPAC name of (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron (CID 11272034) is (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron.

What is the SMILES notation for (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron?

The canonical SMILES for (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron is CCCCC[C@@H](/C=C/C=C/C=C/C=C/C(C)=O)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].

What is the InChIKey of (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron?

The InChIKey is MOTIOWDYHZOJRA-WITZECOBSA-N. The full InChI is InChI=1S/C22H38O2Si.3CO.Fe/c1-8-9-14-18-21(24-25(6,7)22(3,4)5)19-16-13-11-10-12-15-17-20(2)23;3*1-2;/h10-13,15-17,19,21H,8-9,14,18H2,1-7H3;;;;/b12-10+,13-11+,17-15+,19-16+;;;;/t21-;;;;/m0..../s1.

What are the key properties of (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron?

(3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron has a molecular weight of 502.51 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one;carbon monoxide;iron is sourced from PubChem (CID 11272034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).