benzene;carbanide;ethane;(yttrium)

C11H21Y30- — CID 158722115

IUPACbenzene;carbanide;ethane;(yttrium)
SMILESCC.CC.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccccc1
InChIInChI=1S/C6H6.2C2H6.CH3.30Y/c1-2-4-6-5-3-1;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-6H;2*1-2H3;1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBCSMIAGUBPJGTI-UHFFFAOYSA-N
MW2820.47 g/mol
LogP4.11
Rot. Bonds

About benzene;carbanide;ethane;(yttrium)

benzene;carbanide;ethane;(yttrium) (PubChem CID 158722115) has the molecular formula C11H21Y30- and a molecular weight of 2820.47 g/mol. Its IUPAC name is benzene;carbanide;ethane;(yttrium).

Molecular Properties

Compound Namebenzene;carbanide;ethane;(yttrium)
PubChem CID158722115
Molecular FormulaC11H21Y30-
Molecular Weight2820.47 g/mol
Exact Mass2820.34
IUPAC Namebenzene;carbanide;ethane;(yttrium)
SMILESCC.CC.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccccc1
InChIInChI=1S/C6H6.2C2H6.CH3.30Y/c1-2-4-6-5-3-1;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-6H;2*1-2H3;1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBCSMIAGUBPJGTI-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002820.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;carbanide;ethane;(yttrium)?
The IUPAC name of benzene;carbanide;ethane;(yttrium) (CID 158722115) is benzene;carbanide;ethane;(yttrium).
What is the SMILES notation for benzene;carbanide;ethane;(yttrium)?
The canonical SMILES for benzene;carbanide;ethane;(yttrium) is CC.CC.[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccccc1.
What is the InChIKey of benzene;carbanide;ethane;(yttrium)?
The InChIKey is BCSMIAGUBPJGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2C2H6.CH3.30Y/c1-2-4-6-5-3-1;2*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-6H;2*1-2H3;1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of benzene;carbanide;ethane;(yttrium)?
benzene;carbanide;ethane;(yttrium) has a molecular weight of 2820.47 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;ethane;(yttrium) is sourced from PubChem (CID 158722115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).