tert-butyl-[2-[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 134885136

IUPACtert-butyl-[2-[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)CCC=CC1O[Si](C)(C)C(C)(C)C.[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)28-23-19-15-17-21-26(23,29-31(10,11)25(4,5)6)20-16-13-12-14-18-22-27-7;6*1-2;;/h12-13,15,19,23H,17,21-22H2,1-11H3;;;;;;;;/b13-12-;;;;;;;;
InChIKeyUCJHUGCCJNZJAF-XQLSBQNPSA-N
MW746.73 g/mol
LogP6.47
Rot. Bonds5

About tert-butyl-[2-[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-[2-[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 134885136) has the molecular formula C32H44Co2O9Si2 and a molecular weight of 746.73 g/mol. Its IUPAC name is tert-butyl-[2-[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-[2-[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 CID134885136
Molecular FormulaC32H44Co2O9Si2
Molecular Weight746.73 g/mol
Exact Mass746.12
IUPAC Nametert-butyl-[2-[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)CCC=CC1O[Si](C)(C)C(C)(C)C.[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)28-23-19-15-17-21-26(23,29-31(10,11)25(4,5)6)20-16-13-12-14-18-22-27-7;6*1-2;;/h12-13,15,19,23H,17,21-22H2,1-11H3;;;;;;;;/b13-12-;;;;;;;;
InChIKeyUCJHUGCCJNZJAF-XQLSBQNPSA-N
XLogP6.47
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 ≤ 56.47
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
[(8Z,14R,15S)-1,14-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-15-yl]oxy-tert-butyl-dimethylsilane
CID 134885267
[(1S,8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
CID 101693454
tert-butyl-[2-[tert-butyl(dimethyl)silyl]oxy-1-[(Z)-7-methoxyhept-3-en-1,5-diynyl]cyclohex-3-en-1-yl]oxy-dimethylsilane
CID 134885137

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[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-[2-[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 134885136) is tert-butyl-[2-[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-[2-[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-[2-[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)CCC=CC1O[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 tert-butyl-[2-[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 UCJHUGCCJNZJAF-XQLSBQNPSA-N. The full InChI is InChI=1S/C26H44O3Si2.6CO.2Co/c1-24(2,3)30(8,9)28-23-19-15-17-21-26(23,29-31(10,11)25(4,5)6)20-16-13-12-14-18-22-27-7;6*1-2;;/h12-13,15,19,23H,17,21-22H2,1-11H3;;;;;;;;/b13-12-;;;;;;;;.
What are the key properties of tert-butyl-[2-[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-[2-[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 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[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 134885136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).