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

C16H24OSiW — CID 11093097

IUPAC[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
SMILESCOC(=[W])/C=C/CCC#CCCCC#C[Si](C)(C)C
InChIInChI=1S/C16H24OSi.W/c1-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4;/h11,13H,7-10,12H2,1-4H3;/b13-11+;
InChIKeyXWNALCRGLWZGLH-BNSHTTSQSA-N
MW444.29 g/mol
LogP3.70
Rot. Bonds6

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

[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten (PubChem CID 11093097) has the molecular formula C16H24OSiW and a molecular weight of 444.29 g/mol. Its IUPAC name is [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten.

Molecular Properties

Compound Name[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
PubChem CID11093097
Molecular FormulaC16H24OSiW
Molecular Weight444.29 g/mol
Exact Mass444.11
IUPAC Name[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
SMILESCOC(=[W])/C=C/CCC#CCCCC#C[Si](C)(C)C
InChIInChI=1S/C16H24OSi.W/c1-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4;/h11,13H,7-10,12H2,1-4H3;/b13-11+;
InChIKeyXWNALCRGLWZGLH-BNSHTTSQSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(4Z,7Z)-9-ethoxynona-4,7-dien-1-ynyl]-trimethylsilane
CID 59977341
carbon monoxide;[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten
CID 11093096
CID 16043563
CID 16043563
[(4E,7E)-9-ethoxynona-4,7-dien-1-ynyl]-trimethylsilane
CID 22962113
3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
CID 23181319

Frequently Asked Questions

What is the IUPAC name of [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
The IUPAC name of [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten (CID 11093097) is [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten.
What is the SMILES notation for [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
The canonical SMILES for [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten is COC(=[W])/C=C/CCC#CCCCC#C[Si](C)(C)C.
What is the InChIKey of [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
The InChIKey is XWNALCRGLWZGLH-BNSHTTSQSA-N. The full InChI is InChI=1S/C16H24OSi.W/c1-17-15-13-11-9-7-5-6-8-10-12-14-16-18(2,3)4;/h11,13H,7-10,12H2,1-4H3;/b13-11+;.
What are the key properties of [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten?
[(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten has a molecular weight of 444.29 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-methoxy-12-trimethylsilyldodec-2-en-6,11-diynylidene]tungsten is sourced from PubChem (CID 11093097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).