6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)

C12H11Y2- — CID 58729657

IUPAC6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)
SMILESCc1cc2c[c-]ccc2cc1C.[Y].[Y]
InChIInChI=1S/C12H11.2Y/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;;/h3,5-8H,1-2H3;;/q-1;;
InChIKeyPEQJRPPHQUMISL-UHFFFAOYSA-N
MW333.03 g/mol
LogP3.25
Rot. Bonds

About 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)

6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium) (PubChem CID 58729657) has the molecular formula C12H11Y2- and a molecular weight of 333.03 g/mol. Its IUPAC name is 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium).

Molecular Properties

Compound Name6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)
PubChem CID58729657
Molecular FormulaC12H11Y2-
Molecular Weight333.03 g/mol
Exact Mass332.90
IUPAC Name6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)
SMILESCc1cc2c[c-]ccc2cc1C.[Y].[Y]
InChIInChI=1S/C12H11.2Y/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;;/h3,5-8H,1-2H3;;/q-1;;
InChIKeyPEQJRPPHQUMISL-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.03
LogP ≤ 53.25
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 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)?
The IUPAC name of 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium) (CID 58729657) is 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium).
What is the SMILES notation for 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)?
The canonical SMILES for 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium) is Cc1cc2c[c-]ccc2cc1C.[Y].[Y].
What is the InChIKey of 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)?
The InChIKey is PEQJRPPHQUMISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11.2Y/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;;/h3,5-8H,1-2H3;;/q-1;;.
What are the key properties of 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium)?
6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium) has a molecular weight of 333.03 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2H-naphthalen-2-ide;bis(yttrium) is sourced from PubChem (CID 58729657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).