carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one

C24H32Co2O8Si — CID 11296300

IUPACcarbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one
SMILESCC(C)[Si](O[C@H]1CCC(=O)C#CC[C@H]1C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C18H32O2Si.6CO.2Co/c1-13(2)21(14(3)4,15(5)6)20-18-12-11-17(19)10-8-9-16(18)7;6*1-2;;/h13-16,18H,9,11-12H2,1-7H3;;;;;;;;/t16-,18+;;;;;;;;/m1......../s1
InChIKeyIGKWPKOLWDOQOZ-HHCRZRDHSA-N
MW594.46 g/mol
LogP4.71
Rot. Bonds5

About carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one

carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one (PubChem CID 11296300) has the molecular formula C24H32Co2O8Si and a molecular weight of 594.46 g/mol. Its IUPAC name is carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one.

Molecular Properties

Compound Namecarbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one
PubChem CID11296300
Molecular FormulaC24H32Co2O8Si
Molecular Weight594.46 g/mol
Exact Mass594.05
IUPAC Namecarbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one
SMILESCC(C)[Si](O[C@H]1CCC(=O)C#CC[C@H]1C)(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C18H32O2Si.6CO.2Co/c1-13(2)21(14(3)4,15(5)6)20-18-12-11-17(19)10-8-9-16(18)7;6*1-2;;/h13-16,18H,9,11-12H2,1-7H3;;;;;;;;/t16-,18+;;;;;;;;/m1......../s1
InChIKeyIGKWPKOLWDOQOZ-HHCRZRDHSA-N
XLogP4.71
TPSA145.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-yn-2-one
CID 154719880
5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-2-methylundecan-3-one
CID 10831861
(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one
CID 11296301

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one?
The IUPAC name of carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one (CID 11296300) is carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one.
What is the SMILES notation for carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one?
The canonical SMILES for carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one is CC(C)[Si](O[C@H]1CCC(=O)C#CC[C@H]1C)(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 carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one?
The InChIKey is IGKWPKOLWDOQOZ-HHCRZRDHSA-N. The full InChI is InChI=1S/C18H32O2Si.6CO.2Co/c1-13(2)21(14(3)4,15(5)6)20-18-12-11-17(19)10-8-9-16(18)7;6*1-2;;/h13-16,18H,9,11-12H2,1-7H3;;;;;;;;/t16-,18+;;;;;;;;/m1......../s1.
What are the key properties of carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one?
carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one has a molecular weight of 594.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;(5R,6S)-5-methyl-6-tri(propan-2-yl)silyloxycyclooct-2-yn-1-one is sourced from PubChem (CID 11296300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).