carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate

C31H42Co2O11Si — CID 11320152

About carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate

carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate (PubChem CID 11320152) has the molecular formula C31H42Co2O11Si and a molecular weight of 736.62 g/mol. Its IUPAC name is carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate.

Molecular Properties

• Compound Name: carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate
• PubChem CID: 11320152
• Molecular Formula: C31H42Co2O11Si
• Molecular Weight: 736.62 g/mol
• Exact Mass: 736.12
• IUPAC Name: carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate
• SMILES: C=CC[C@H](C)OC(=O)C#CCC(CC[C@@H]1OC(C)(C)O[C@@H]1C=C)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
• InChI: InChI=1S/C25H42O5Si.6CO.2Co/c1-11-14-19(3)27-23(26)16-13-15-20(30-31(9,10)24(4,5)6)17-18-22-21(12-2)28-25(7,8)29-22;6*1-2;;/h11-12,19-22H,1-2,14-15,17-18H2,3-10H3;;;;;;;;/t19-,20?,21+,22-;;;;;;;;/m0......../s1
• InChIKey: XCLLZDJRLMNSMZ-VJGUJGHWSA-N
• XLogP: 5.53
• TPSA: 173.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.62
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'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'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate?

The IUPAC name of carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate (CID 11320152) is carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate.

What is the SMILES notation for carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate?

The canonical SMILES for carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate is C=CC[C@H](C)OC(=O)C#CCC(CC[C@@H]1OC(C)(C)O[C@@H]1C=C)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].

What is the InChIKey of carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate?

The InChIKey is XCLLZDJRLMNSMZ-VJGUJGHWSA-N. The full InChI is InChI=1S/C25H42O5Si.6CO.2Co/c1-11-14-19(3)27-23(26)16-13-15-20(30-31(9,10)24(4,5)6)17-18-22-21(12-2)28-25(7,8)29-22;6*1-2;;/h11-12,19-22H,1-2,14-15,17-18H2,3-10H3;;;;;;;;/t19-,20?,21+,22-;;;;;;;;/m0......../s1.

What are the key properties of carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate?

carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate has a molecular weight of 736.62 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;cobalt;[(2S)-pent-4-en-2-yl] 5-[tert-butyl(dimethyl)silyl]oxy-7-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-ynoate is sourced from PubChem (CID 11320152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).