10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt

C32H36Co2O9Si — CID 134882633

IUPAC10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt
SMILESCC(C)(C)[Si](OCC#CC(O)CCCCCCO)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H36O3Si.6CO.2Co/c1-26(2,3)30(24-17-9-6-10-18-24,25-19-11-7-12-20-25)29-22-14-16-23(28)15-8-4-5-13-21-27;6*1-2;;/h6-7,9-12,17-20,23,27-28H,4-5,8,13,15,21-22H2,1-3H3;;;;;;;;
InChIKeyUDCKUSRBUZDKHV-UHFFFAOYSA-N
MW710.58 g/mol
LogP3.64
Rot. Bonds10

About 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt

10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt (PubChem CID 134882633) has the molecular formula C32H36Co2O9Si and a molecular weight of 710.58 g/mol. Its IUPAC name is 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt.

Molecular Properties

Compound Name10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt
PubChem CID134882633
Molecular FormulaC32H36Co2O9Si
Molecular Weight710.58 g/mol
Exact Mass710.08
IUPAC Name10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt
SMILESCC(C)(C)[Si](OCC#CC(O)CCCCCCO)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H36O3Si.6CO.2Co/c1-26(2,3)30(24-17-9-6-10-18-24,25-19-11-7-12-20-25)29-22-14-16-23(28)15-8-4-5-13-21-27;6*1-2;;/h6-7,9-12,17-20,23,27-28H,4-5,8,13,15,21-22H2,1-3H3;;;;;;;;
InChIKeyUDCKUSRBUZDKHV-UHFFFAOYSA-N
XLogP3.64
TPSA169.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt?
The IUPAC name of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt (CID 134882633) is 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt.
What is the SMILES notation for 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt?
The canonical SMILES for 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt is CC(C)(C)[Si](OCC#CC(O)CCCCCCO)(c1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt?
The InChIKey is UDCKUSRBUZDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O3Si.6CO.2Co/c1-26(2,3)30(24-17-9-6-10-18-24,25-19-11-7-12-20-25)29-22-14-16-23(28)15-8-4-5-13-21-27;6*1-2;;/h6-7,9-12,17-20,23,27-28H,4-5,8,13,15,21-22H2,1-3H3;;;;;;;;.
What are the key properties of 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt?
10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt has a molecular weight of 710.58 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol;carbon monoxide;cobalt is sourced from PubChem (CID 134882633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).