carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate

C18H20Co2O8Si — CID 10864131

IUPACcarbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate
SMILESC=CC(CC#CCOC(C)=O)[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H20O2Si.6CO.2Co/c1-6-12(15(3,4)5)9-7-8-10-14-11(2)13;6*1-2;;/h6,12H,1,9-10H2,2-5H3;;;;;;;;
InChIKeyGEWHAFGGXHJOAR-UHFFFAOYSA-N
MW510.30 g/mol
LogP2.61
Rot. Bonds4

About carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate

carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate (PubChem CID 10864131) has the molecular formula C18H20Co2O8Si and a molecular weight of 510.30 g/mol. Its IUPAC name is carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate.

Molecular Properties

Compound Namecarbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate
PubChem CID10864131
Molecular FormulaC18H20Co2O8Si
Molecular Weight510.30 g/mol
Exact Mass509.96
IUPAC Namecarbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate
SMILESC=CC(CC#CCOC(C)=O)[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]
InChIInChI=1S/C12H20O2Si.6CO.2Co/c1-6-12(15(3,4)5)9-7-8-10-14-11(2)13;6*1-2;;/h6,12H,1,9-10H2,2-5H3;;;;;;;;
InChIKeyGEWHAFGGXHJOAR-UHFFFAOYSA-N
XLogP2.61
TPSA145.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.30
LogP ≤ 52.61
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate?
The IUPAC name of carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate (CID 10864131) is carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate.
What is the SMILES notation for carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate?
The canonical SMILES for carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate is C=CC(CC#CCOC(C)=O)[Si](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;5-trimethylsilylhept-6-en-2-ynyl acetate?
The InChIKey is GEWHAFGGXHJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si.6CO.2Co/c1-6-12(15(3,4)5)9-7-8-10-14-11(2)13;6*1-2;;/h6,12H,1,9-10H2,2-5H3;;;;;;;;.
What are the key properties of carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate?
carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate has a molecular weight of 510.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cobalt;5-trimethylsilylhept-6-en-2-ynyl acetate is sourced from PubChem (CID 10864131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).