methane;methylbenzene;yttrium

C16H22Y-2 — CID 158936681

IUPACmethane;methylbenzene;yttrium
SMILESC.C.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/2C7H7.2CH4.Y/c2*1-7-5-3-2-4-6-7;;;/h2*3-6H,1H3;2*1H4;/q2*-1;;;
InChIKeyCHTHILMOGAJGTN-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.86
Rot. Bonds

About methane;methylbenzene;yttrium

methane;methylbenzene;yttrium (PubChem CID 158936681) has the molecular formula C16H22Y-2 and a molecular weight of 303.26 g/mol. Its IUPAC name is methane;methylbenzene;yttrium.

Molecular Properties

Compound Namemethane;methylbenzene;yttrium
PubChem CID158936681
Molecular FormulaC16H22Y-2
Molecular Weight303.26 g/mol
Exact Mass303.08
IUPAC Namemethane;methylbenzene;yttrium
SMILESC.C.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/2C7H7.2CH4.Y/c2*1-7-5-3-2-4-6-7;;;/h2*3-6H,1H3;2*1H4;/q2*-1;;;
InChIKeyCHTHILMOGAJGTN-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.86
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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Related Compounds

methane;methylbenzene;yttrium
CID 160876865
ethane;methylbenzene;yttrium
CID 158556230
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CID 87204624
cobalt(3+);methylbenzene
CID 156753430
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CID 154186584
methylbenzene;yttrium(3+)
CID 22952606
methanol;methylbenzene;titanium
CID 141397968
methylbenzene;triiodotitanium(1+)
CID 18688117
1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
CID 59372723
carbanide;dioxouranium(2+);methylbenzene
CID 163813971
potassium;boric acid;methylbenzene
CID 159556662
ethane;methylbenzene;4-methylphenol;yttrium
CID 160854018

Frequently Asked Questions

What is the IUPAC name of methane;methylbenzene;yttrium?
The IUPAC name of methane;methylbenzene;yttrium (CID 158936681) is methane;methylbenzene;yttrium.
What is the SMILES notation for methane;methylbenzene;yttrium?
The canonical SMILES for methane;methylbenzene;yttrium is C.C.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y].
What is the InChIKey of methane;methylbenzene;yttrium?
The InChIKey is CHTHILMOGAJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.2CH4.Y/c2*1-7-5-3-2-4-6-7;;;/h2*3-6H,1H3;2*1H4;/q2*-1;;;.
What are the key properties of methane;methylbenzene;yttrium?
methane;methylbenzene;yttrium has a molecular weight of 303.26 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methylbenzene;yttrium is sourced from PubChem (CID 158936681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).