1-methoxybut-2-ynylidenetungsten

C5H6OW — CID 14663156

IUPAC1-methoxybut-2-ynylidenetungsten
SMILESCC#CC(=[W])OC
InChIInChI=1S/C5H6O.W/c1-3-4-5-6-2;/h1-2H3;
InChIKeySRKGYGVHIADVCA-UHFFFAOYSA-N
MW265.94 g/mol
LogP0.33
Rot. Bonds1

About 1-methoxybut-2-ynylidenetungsten

1-methoxybut-2-ynylidenetungsten (PubChem CID 14663156) has the molecular formula C5H6OW and a molecular weight of 265.94 g/mol. Its IUPAC name is 1-methoxybut-2-ynylidenetungsten.

Molecular Properties

Compound Name1-methoxybut-2-ynylidenetungsten
PubChem CID14663156
Molecular FormulaC5H6OW
Molecular Weight265.94 g/mol
Exact Mass265.99
IUPAC Name1-methoxybut-2-ynylidenetungsten
SMILESCC#CC(=[W])OC
InChIInChI=1S/C5H6O.W/c1-3-4-5-6-2;/h1-2H3;
InChIKeySRKGYGVHIADVCA-UHFFFAOYSA-N
XLogP0.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.94
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxybut-2-ynylidenetungsten?
The IUPAC name of 1-methoxybut-2-ynylidenetungsten (CID 14663156) is 1-methoxybut-2-ynylidenetungsten.
What is the SMILES notation for 1-methoxybut-2-ynylidenetungsten?
The canonical SMILES for 1-methoxybut-2-ynylidenetungsten is CC#CC(=[W])OC.
What is the InChIKey of 1-methoxybut-2-ynylidenetungsten?
The InChIKey is SRKGYGVHIADVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.W/c1-3-4-5-6-2;/h1-2H3;.
What are the key properties of 1-methoxybut-2-ynylidenetungsten?
1-methoxybut-2-ynylidenetungsten has a molecular weight of 265.94 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-2-ynylidenetungsten is sourced from PubChem (CID 14663156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).