carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten

C21H24O6SiW — CID 11093096

IUPACcarbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
SMILESCOC(=[W])/C=C/CCC#CCCCC#C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H24OSi.5CO.W/c1-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4;5*1-2;/h11,13H,7-10,12H2,1-4H3;;;;;;/b13-11+;;;;;;
InChIKeyCHVXYMFEXLIQPQ-WBDBPKONSA-N
MW584.34 g/mol
LogP3.51
Rot. Bonds6

About carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten

carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten (PubChem CID 11093096) has the molecular formula C21H24O6SiW and a molecular weight of 584.34 g/mol. Its IUPAC name is carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten.

Molecular Properties

Compound Namecarbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
PubChem CID11093096
Molecular FormulaC21H24O6SiW
Molecular Weight584.34 g/mol
Exact Mass584.09
IUPAC Namecarbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
SMILESCOC(=[W])/C=C/CCC#CCCCC#C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C16H24OSi.5CO.W/c1-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4;5*1-2;/h11,13H,7-10,12H2,1-4H3;;;;;;/b13-11+;;;;;;
InChIKeyCHVXYMFEXLIQPQ-WBDBPKONSA-N
XLogP3.51
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
The IUPAC name of carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten (CID 11093096) is carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten.
What is the SMILES notation for carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
The canonical SMILES for carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten is COC(=[W])/C=C/CCC#CCCCC#C[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
The InChIKey is CHVXYMFEXLIQPQ-WBDBPKONSA-N. The full InChI is InChI=1S/C16H24OSi.5CO.W/c1-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4;5*1-2;/h11,13H,7-10,12H2,1-4H3;;;;;;/b13-11+;;;;;;.
What are the key properties of carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten has a molecular weight of 584.34 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten is sourced from PubChem (CID 11093096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).