[(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-ynyl] acetate;carbon monoxide;cobalt

C36H48Co2O9Si2 — CID 10952872

IUPAC[(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-ynyl] acetate;carbon monoxide;cobalt
SMILESC=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\COC(C)=O)C1(C)C)C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C30H48O3Si2.6CO.2Co/c1-24(19-22-32-26(3)31)16-17-27-15-14-20-30(29(27,7)8,33-35(12,13)28(4,5)6)21-18-25(2)23-34(9,10)11;6*1-2;;/h15,19H,2,14,20,22-23H2,1,3-13H3;;;;;;;;/b24-19-;;;;;;;;
InChIKeyNSZWWONFUKMUDB-SAIGBPSGSA-N
MW798.81 g/mol
LogP7.67
Rot. Bonds6

About [(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-ynyl] acetate;carbon monoxide;cobalt

[(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-ynyl] acetate;carbon monoxide;cobalt (PubChem CID 10952872) has the molecular formula C36H48Co2O9Si2 and a molecular weight of 798.81 g/mol. Its IUPAC name is [(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-ynyl] acetate;carbon monoxide;cobalt.

Molecular Properties

Compound Name[(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-ynyl] acetate;carbon monoxide;cobalt
PubChem CID10952872
Molecular FormulaC36H48Co2O9Si2
Molecular Weight798.81 g/mol
Exact Mass798.15
IUPAC Name[(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-ynyl] acetate;carbon monoxide;cobalt
SMILESC=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\COC(C)=O)C1(C)C)C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C30H48O3Si2.6CO.2Co/c1-24(19-22-32-26(3)31)16-17-27-15-14-20-30(29(27,7)8,33-35(12,13)28(4,5)6)21-18-25(2)23-34(9,10)11;6*1-2;;/h15,19H,2,14,20,22-23H2,1,3-13H3;;;;;;;;/b24-19-;;;;;;;;
InChIKeyNSZWWONFUKMUDB-SAIGBPSGSA-N
XLogP7.67
TPSA154.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.81
LogP ≤ 57.67
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 [(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-ynyl] acetate;carbon monoxide;cobalt?
The IUPAC name of [(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-ynyl] acetate;carbon monoxide;cobalt (CID 10952872) is [(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-ynyl] acetate;carbon monoxide;cobalt.
What is the SMILES notation for [(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-ynyl] acetate;carbon monoxide;cobalt?
The canonical SMILES for [(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-ynyl] acetate;carbon monoxide;cobalt is C=C(C#CC1(O[Si](C)(C)C(C)(C)C)CCC=C(C#C/C(C)=C\COC(C)=O)C1(C)C)C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of [(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-ynyl] acetate;carbon monoxide;cobalt?
The InChIKey is NSZWWONFUKMUDB-SAIGBPSGSA-N. The full InChI is InChI=1S/C30H48O3Si2.6CO.2Co/c1-24(19-22-32-26(3)31)16-17-27-15-14-20-30(29(27,7)8,33-35(12,13)28(4,5)6)21-18-25(2)23-34(9,10)11;6*1-2;;/h15,19H,2,14,20,22-23H2,1,3-13H3;;;;;;;;/b24-19-;;;;;;;;.
What are the key properties of [(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-ynyl] acetate;carbon monoxide;cobalt?
[(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-ynyl] acetate;carbon monoxide;cobalt has a molecular weight of 798.81 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(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-ynyl] acetate;carbon monoxide;cobalt is sourced from PubChem (CID 10952872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).