(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt

C29H38Co2O11Si — CID 11239482

IUPAC(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt
SMILESC[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CCC(O[Si](C)(C)C(C)(C)C)CC#CC(=O)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C23H38O5Si.6CO.2Co/c1-17-11-9-13-19-20(27-23(5,6)26-19)16-15-18(12-10-14-21(24)25-17)28-29(7,8)22(2,3)4;6*1-2;;/h9,13,17-20H,11-12,15-16H2,1-8H3;;;;;;;;/b13-9+;;;;;;;;/t17-,18?,19+,20-;;;;;;;;/m0......../s1
InChIKeyRJFHUYLAGDKWDJ-LRXPFAMRSA-N
MW708.56 g/mol
LogP4.73
Rot. Bonds2

About (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt

(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt (PubChem CID 11239482) has the molecular formula C29H38Co2O11Si and a molecular weight of 708.56 g/mol. Its IUPAC name is (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt.

Molecular Properties

Compound Name(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt
PubChem CID11239482
Molecular FormulaC29H38Co2O11Si
Molecular Weight708.56 g/mol
Exact Mass708.08
IUPAC Name(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt
SMILESC[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CCC(O[Si](C)(C)C(C)(C)C)CC#CC(=O)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C23H38O5Si.6CO.2Co/c1-17-11-9-13-19-20(27-23(5,6)26-19)16-15-18(12-10-14-21(24)25-17)28-29(7,8)22(2,3)4;6*1-2;;/h9,13,17-20H,11-12,15-16H2,1-8H3;;;;;;;;/b13-9+;;;;;;;;/t17-,18?,19+,20-;;;;;;;;/m0......../s1
InChIKeyRJFHUYLAGDKWDJ-LRXPFAMRSA-N
XLogP4.73
TPSA173.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500708.56
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'Michael_acceptor_5', 'substructure': 'N/A'}

Analyze (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt?
The IUPAC name of (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt (CID 11239482) is (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt.
What is the SMILES notation for (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt?
The canonical SMILES for (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt is C[C@H]1C/C=C/[C@H]2OC(C)(C)O[C@H]2CCC(O[Si](C)(C)C(C)(C)C)CC#CC(=O)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co].
What is the InChIKey of (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt?
The InChIKey is RJFHUYLAGDKWDJ-LRXPFAMRSA-N. The full InChI is InChI=1S/C23H38O5Si.6CO.2Co/c1-17-11-9-13-19-20(27-23(5,6)26-19)16-15-18(12-10-14-21(24)25-17)28-29(7,8)22(2,3)4;6*1-2;;/h9,13,17-20H,11-12,15-16H2,1-8H3;;;;;;;;/b13-9+;;;;;;;;/t17-,18?,19+,20-;;;;;;;;/m0......../s1.
What are the key properties of (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt?
(1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt has a molecular weight of 708.56 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,5S,14S)-11-[tert-butyl(dimethyl)silyl]oxy-5,16,16-trimethyl-6,15,17-trioxabicyclo[12.3.0]heptadec-2-en-8-yn-7-one;carbon monoxide;cobalt is sourced from PubChem (CID 11239482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).