carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane

C48H56Fe2NO9PSi — CID 11297593

IUPACcarbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane
SMILESCOC(=O)/C=C/C=C\CC1=NOC(/C=C/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H41NO4Si.C18H15P.5CO.2Fe/c1-21(30-31(6,7)25(2,3)4)16-12-9-8-10-14-18-23-20-22(26-29-23)17-13-11-15-19-24(27)28-5;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2;;/h8,10-11,13-15,18-19,21,23H,9,12,16-17,20H2,1-7H3;1-15H;;;;;;;/b10-8+,13-11-,18-14+,19-15+;;;;;;;;/t21-,23?;;;;;;;;/m1......../s1
InChIKeyFBYDJNRSVJKICE-JCKUJZCJSA-N
MW961.72 g/mol
LogP9.75
Rot. Bonds15

About carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane

carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane (PubChem CID 11297593) has the molecular formula C48H56Fe2NO9PSi and a molecular weight of 961.72 g/mol. Its IUPAC name is carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane.

Molecular Properties

Compound Namecarbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane
PubChem CID11297593
Molecular FormulaC48H56Fe2NO9PSi
Molecular Weight961.72 g/mol
Exact Mass961.22
IUPAC Namecarbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane
SMILESCOC(=O)/C=C/C=C\CC1=NOC(/C=C/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H41NO4Si.C18H15P.5CO.2Fe/c1-21(30-31(6,7)25(2,3)4)16-12-9-8-10-14-18-23-20-22(26-29-23)17-13-11-15-19-24(27)28-5;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2;;/h8,10-11,13-15,18-19,21,23H,9,12,16-17,20H2,1-7H3;1-15H;;;;;;;/b10-8+,13-11-,18-14+,19-15+;;;;;;;;/t21-,23?;;;;;;;;/m1......../s1
InChIKeyFBYDJNRSVJKICE-JCKUJZCJSA-N
XLogP9.75
TPSA156.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.72
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

Analyze carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane with MolForge

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Related Compounds

carbon monoxide;iron;methyl (2E,4Z)-6-[(5R)-5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane
CID 11400394
ethyl (2E,4E,11R)-11-[tert-butyl(dimethyl)silyl]oxydodeca-2,4-dienoate
CID 25241738
ethyl (2Z,4E,7S)-7-[tert-butyl(dimethyl)silyl]oxy-7-[3-[(4R,6R)-6-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-2,2-dimethyl-1,3-dioxan-4-yl]phenyl]hepta-2,4-dienoate
CID 101272340
methyl (E)-8-[tert-butyl(dimethyl)silyl]oxy-8-naphthalen-2-yloct-2-enoate
CID 11090934
tert-butyl-[(2R,6E,8E)-9-[(4R,6R)-6-[(1S)-3-iodo-1-phenylmethoxyprop-2-ynyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
CID 134853562
tert-butyl-dimethyl-[(2R,6E,8E)-undeca-6,8,10-trien-2-yl]oxysilane
CID 11004320
methyl (2E,4E,9R)-9-hydroxydeca-2,4-dienoate
CID 10893104
carbon monoxide;iron;methyl (2E,4E,9Z)-6-[tert-butyl(dimethyl)silyl]oxy-12-(1-ethoxyethoxy)dodeca-2,4,9-trienoate
CID 10918792
methyl (E)-15-acetyloxy-6,9,12-tris[[tert-butyl(dimethyl)silyl]oxy]-15-phenylpentadec-2-enoate
CID 101438914
tert-butyl-[(E,2S)-9-(1,3-dioxolan-2-yl)non-6-en-2-yl]oxy-dimethylsilane
CID 134983641
(2S,3Z,5S,6Z,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]dodeca-3,6-dien-5-ol
CID 166444797
[(2R,6E,8E,10R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-12-[3-[(1S,3E,5Z)-1-[tert-butyl(dimethyl)silyl]oxy-7-ethoxy-7-oxohepta-3,5-dienyl]phenyl]-10-hydroxydodeca-6,8-dien-2-yl] benzoate
CID 101334365

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane?
The IUPAC name of carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane (CID 11297593) is carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane.
What is the SMILES notation for carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane?
The canonical SMILES for carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane is COC(=O)/C=C/C=C\CC1=NOC(/C=C/C=C/CCC[C@@H](C)O[Si](C)(C)C(C)(C)C)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane?
The InChIKey is FBYDJNRSVJKICE-JCKUJZCJSA-N. The full InChI is InChI=1S/C25H41NO4Si.C18H15P.5CO.2Fe/c1-21(30-31(6,7)25(2,3)4)16-12-9-8-10-14-18-23-20-22(26-29-23)17-13-11-15-19-24(27)28-5;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2;;/h8,10-11,13-15,18-19,21,23H,9,12,16-17,20H2,1-7H3;1-15H;;;;;;;/b10-8+,13-11-,18-14+,19-15+;;;;;;;;/t21-,23?;;;;;;;;/m1......../s1.
What are the key properties of carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane?
carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane has a molecular weight of 961.72 g/mol, XLogP of 9.75, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;iron;methyl (2E,4Z)-6-[5-[(1E,3E,8R)-8-[tert-butyl(dimethyl)silyl]oxynona-1,3-dienyl]-4,5-dihydro-1,2-oxazol-3-yl]hexa-2,4-dienoate;triphenylphosphane is sourced from PubChem (CID 11297593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).