carbanide;hexa-1,4-diyne;yttrium

C7H8Y-2 — CID 59918650

IUPACcarbanide;hexa-1,4-diyne;yttrium
SMILES[C-]#CCC#CC.[CH3-].[Y]
InChIInChI=1S/C6H5.CH3.Y/c1-3-5-6-4-2;;/h6H2,1H3;1H3;/q2*-1;
InChIKeyIJZRWCSPRMGOKA-UHFFFAOYSA-N
MW181.05 g/mol
LogP1.44
Rot. Bonds

About carbanide;hexa-1,4-diyne;yttrium

carbanide;hexa-1,4-diyne;yttrium (PubChem CID 59918650) has the molecular formula C7H8Y-2 and a molecular weight of 181.05 g/mol. Its IUPAC name is carbanide;hexa-1,4-diyne;yttrium.

Molecular Properties

Compound Namecarbanide;hexa-1,4-diyne;yttrium
PubChem CID59918650
Molecular FormulaC7H8Y-2
Molecular Weight181.05 g/mol
Exact Mass180.97
IUPAC Namecarbanide;hexa-1,4-diyne;yttrium
SMILES[C-]#CCC#CC.[CH3-].[Y]
InChIInChI=1S/C6H5.CH3.Y/c1-3-5-6-4-2;;/h6H2,1H3;1H3;/q2*-1;
InChIKeyIJZRWCSPRMGOKA-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.05
LogP ≤ 51.44
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;hexa-1,4-diyne;yttrium?
The IUPAC name of carbanide;hexa-1,4-diyne;yttrium (CID 59918650) is carbanide;hexa-1,4-diyne;yttrium.
What is the SMILES notation for carbanide;hexa-1,4-diyne;yttrium?
The canonical SMILES for carbanide;hexa-1,4-diyne;yttrium is [C-]#CCC#CC.[CH3-].[Y].
What is the InChIKey of carbanide;hexa-1,4-diyne;yttrium?
The InChIKey is IJZRWCSPRMGOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CH3.Y/c1-3-5-6-4-2;;/h6H2,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;hexa-1,4-diyne;yttrium?
carbanide;hexa-1,4-diyne;yttrium has a molecular weight of 181.05 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hexa-1,4-diyne;yttrium is sourced from PubChem (CID 59918650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).