tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt

C32H44Co2O9Si2 — CID 134885134

IUPACtert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt
SMILESCOCC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CC=C(O[Si](C)(C)C(C)(C)C)CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H44O3Si2.6CO.2Co/c1-24(2,3)30(8,9)28-23-17-20-26(21-18-23,29-31(10,11)25(4,5)6)19-15-13-12-14-16-22-27-7;6*1-2;;/h12-13,17H,18,20-22H2,1-11H3;;;;;;;;/b13-12-;;;;;;;;
InChIKeyZOFLEYKQANHQHU-XQLSBQNPSA-N
MW746.73 g/mol
LogP6.82
Rot. Bonds5

About tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt

tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt (PubChem CID 134885134) has the molecular formula C32H44Co2O9Si2 and a molecular weight of 746.73 g/mol. Its IUPAC name is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt.

Molecular Properties

Compound Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt
PubChem CID134885134
Molecular FormulaC32H44Co2O9Si2
Molecular Weight746.73 g/mol
Exact Mass746.12
IUPAC Nametert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt
SMILESCOCC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CC=C(O[Si](C)(C)C(C)(C)C)CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C26H44O3Si2.6CO.2Co/c1-24(2,3)30(8,9)28-23-17-20-26(21-18-23,29-31(10,11)25(4,5)6)19-15-13-12-14-16-22-27-7;6*1-2;;/h12-13,17H,18,20-22H2,1-11H3;;;;;;;;/b13-12-;;;;;;;;
InChIKeyZOFLEYKQANHQHU-XQLSBQNPSA-N
XLogP6.82
TPSA147.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.73
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt?
The IUPAC name of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt (CID 134885134) is tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt.
What is the SMILES notation for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt?
The canonical SMILES for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt is COCC#C/C=C\C#CC1(O[Si](C)(C)C(C)(C)C)CC=C(O[Si](C)(C)C(C)(C)C)CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt?
The InChIKey is ZOFLEYKQANHQHU-XQLSBQNPSA-N. The full InChI is InChI=1S/C26H44O3Si2.6CO.2Co/c1-24(2,3)30(8,9)28-23-17-20-26(21-18-23,29-31(10,11)25(4,5)6)19-15-13-12-14-16-22-27-7;6*1-2;;/h12-13,17H,18,20-22H2,1-11H3;;;;;;;;/b13-12-;;;;;;;;.
What are the key properties of tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt?
tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt has a molecular weight of 746.73 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane;carbon monoxide;cobalt is sourced from PubChem (CID 134885134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).