tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt

C31H36Co2O7Si — CID 11125219

IUPACtert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt
SMILESC=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C/CC1)C2(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C25H36OSi.6CO.2Co/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7;6*1-2;;/h12,14H,2,10-11,13,18H2,1,3-9H3;;;;;;;;/b20-12+;;;;;;;;
InChIKeyRDGBLMNPOSOZHO-RHADHKHOSA-N
MW666.57 g/mol
LogP6.57
Rot. Bonds2

About tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt

tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt (PubChem CID 11125219) has the molecular formula C31H36Co2O7Si and a molecular weight of 666.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt
PubChem CID11125219
Molecular FormulaC31H36Co2O7Si
Molecular Weight666.57 g/mol
Exact Mass666.09
IUPAC Nametert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt
SMILESC=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C/CC1)C2(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C25H36OSi.6CO.2Co/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7;6*1-2;;/h12,14H,2,10-11,13,18H2,1,3-9H3;;;;;;;;/b20-12+;;;;;;;;
InChIKeyRDGBLMNPOSOZHO-RHADHKHOSA-N
XLogP6.57
TPSA128.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.57
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

tert-butyl-dimethyl-[[(7E,9Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,9,11-trien-2-ynyl]oxy]silane
CID 10992595
tert-butyl-[(Z)-5-[5-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5-[3-(trimethylsilylmethyl)but-3-en-1-ynyl]cyclohexen-1-yl]-3-methylpent-2-en-4-ynoxy]-dimethylsilane
CID 11017362
CID 11072403
CID 11072403
tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
CID 11125220
CID 42617318
CID 42617318
tert-butyl-dimethyl-[[(7Z,9Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,9,11-trien-2-ynyl]oxy]silane
CID 42622478
CID 135922762
CID 135922762
tert-butyl-dimethyl-[[(8Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-8,11-dien-2-ynyl]oxy]silane
CID 135922763
tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt
CID 176516784
tert-butyl-dimethyl-[[(7E)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane
CID 176516785

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt?
The IUPAC name of tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt (CID 11125219) is tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt.
What is the SMILES notation for tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt?
The canonical SMILES for tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt is C=C1C#CC2(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C/CC1)C2(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt?
The InChIKey is RDGBLMNPOSOZHO-RHADHKHOSA-N. The full InChI is InChI=1S/C25H36OSi.6CO.2Co/c1-20-12-10-13-21(2)17-19-25(26-27(8,9)23(3,4)5)18-11-14-22(16-15-20)24(25,6)7;6*1-2;;/h12,14H,2,10-11,13,18H2,1,3-9H3;;;;;;;;/b20-12+;;;;;;;;.
What are the key properties of tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt?
tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt has a molecular weight of 666.57 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(7Z)-8,15,15-trimethyl-4-methylidene-1-bicyclo[9.3.1]pentadeca-7,11-dien-2,9-diynyl]oxy]silane;carbon monoxide;cobalt is sourced from PubChem (CID 11125219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).