methylbenzene;yttrium(3+)

C14H14Y+ — CID 22952606

IUPACmethylbenzene;yttrium(3+)
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.[Y+3]
InChIInChI=1S/2C7H7.Y/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;/q2*-1;+3
InChIKeyLSVSJDRJKSTLOY-UHFFFAOYSA-N
MW271.17 g/mol
LogP3.59
Rot. Bonds

About methylbenzene;yttrium(3+)

methylbenzene;yttrium(3+) (PubChem CID 22952606) has the molecular formula C14H14Y+ and a molecular weight of 271.17 g/mol. Its IUPAC name is methylbenzene;yttrium(3+).

Molecular Properties

Compound Namemethylbenzene;yttrium(3+)
PubChem CID22952606
Molecular FormulaC14H14Y+
Molecular Weight271.17 g/mol
Exact Mass271.01
IUPAC Namemethylbenzene;yttrium(3+)
SMILESCc1cc[c-]cc1.Cc1cc[c-]cc1.[Y+3]
InChIInChI=1S/2C7H7.Y/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;/q2*-1;+3
InChIKeyLSVSJDRJKSTLOY-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 53.59
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 methylbenzene;yttrium(3+)?
The IUPAC name of methylbenzene;yttrium(3+) (CID 22952606) is methylbenzene;yttrium(3+).
What is the SMILES notation for methylbenzene;yttrium(3+)?
The canonical SMILES for methylbenzene;yttrium(3+) is Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y+3].
What is the InChIKey of methylbenzene;yttrium(3+)?
The InChIKey is LSVSJDRJKSTLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.Y/c2*1-7-5-3-2-4-6-7;/h2*3-6H,1H3;/q2*-1;+3.
What are the key properties of methylbenzene;yttrium(3+)?
methylbenzene;yttrium(3+) has a molecular weight of 271.17 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methylbenzene;yttrium(3+) is sourced from PubChem (CID 22952606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).