carbanide;penta-1,3-diyne;yttrium

C6H6Y-2 — CID 58350246

IUPACcarbanide;penta-1,3-diyne;yttrium
SMILES[C-]#CC#CC.[CH3-].[Y]
InChIInChI=1S/C5H3.CH3.Y/c1-3-5-4-2;;/h1H3;1H3;/q2*-1;
InChIKeyXSYPJBADRHSCGO-UHFFFAOYSA-N
MW167.02 g/mol
LogP1.05
Rot. Bonds

About carbanide;penta-1,3-diyne;yttrium

carbanide;penta-1,3-diyne;yttrium (PubChem CID 58350246) has the molecular formula C6H6Y-2 and a molecular weight of 167.02 g/mol. Its IUPAC name is carbanide;penta-1,3-diyne;yttrium.

Molecular Properties

Compound Namecarbanide;penta-1,3-diyne;yttrium
PubChem CID58350246
Molecular FormulaC6H6Y-2
Molecular Weight167.02 g/mol
Exact Mass166.95
IUPAC Namecarbanide;penta-1,3-diyne;yttrium
SMILES[C-]#CC#CC.[CH3-].[Y]
InChIInChI=1S/C5H3.CH3.Y/c1-3-5-4-2;;/h1H3;1H3;/q2*-1;
InChIKeyXSYPJBADRHSCGO-UHFFFAOYSA-N
XLogP1.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.02
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;penta-1,3-diyne;yttrium?
The IUPAC name of carbanide;penta-1,3-diyne;yttrium (CID 58350246) is carbanide;penta-1,3-diyne;yttrium.
What is the SMILES notation for carbanide;penta-1,3-diyne;yttrium?
The canonical SMILES for carbanide;penta-1,3-diyne;yttrium is [C-]#CC#CC.[CH3-].[Y].
What is the InChIKey of carbanide;penta-1,3-diyne;yttrium?
The InChIKey is XSYPJBADRHSCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3.CH3.Y/c1-3-5-4-2;;/h1H3;1H3;/q2*-1;.
What are the key properties of carbanide;penta-1,3-diyne;yttrium?
carbanide;penta-1,3-diyne;yttrium has a molecular weight of 167.02 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;penta-1,3-diyne;yttrium is sourced from PubChem (CID 58350246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).