ethane;methylbenzene;yttrium

C18H26Y-2 — CID 158556230

IUPACethane;methylbenzene;yttrium
SMILESCC.CC.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/2C7H7.2C2H6.Y/c2*1-7-5-3-2-4-6-7;2*1-2;/h2*3-6H,1H3;2*1-2H3;/q2*-1;;;
InChIKeyCQNMFRSRBAWWCG-UHFFFAOYSA-N
MW331.31 g/mol
LogP5.64
Rot. Bonds

About ethane;methylbenzene;yttrium

ethane;methylbenzene;yttrium (PubChem CID 158556230) has the molecular formula C18H26Y-2 and a molecular weight of 331.31 g/mol. Its IUPAC name is ethane;methylbenzene;yttrium.

Molecular Properties

Compound Nameethane;methylbenzene;yttrium
PubChem CID158556230
Molecular FormulaC18H26Y-2
Molecular Weight331.31 g/mol
Exact Mass331.11
IUPAC Nameethane;methylbenzene;yttrium
SMILESCC.CC.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/2C7H7.2C2H6.Y/c2*1-7-5-3-2-4-6-7;2*1-2;/h2*3-6H,1H3;2*1-2H3;/q2*-1;;;
InChIKeyCQNMFRSRBAWWCG-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.31
LogP ≤ 55.64
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
methane;methylbenzene;yttrium
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methylbenzene;zirconium
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CID 156753430
methylbenzene;yttrium(3+)
CID 22952606
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CID 141397968
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CID 18688117
1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
CID 59372723
carbanide;dioxouranium(2+);methylbenzene
CID 163813971
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Frequently Asked Questions

What is the IUPAC name of ethane;methylbenzene;yttrium?
The IUPAC name of ethane;methylbenzene;yttrium (CID 158556230) is ethane;methylbenzene;yttrium.
What is the SMILES notation for ethane;methylbenzene;yttrium?
The canonical SMILES for ethane;methylbenzene;yttrium is CC.CC.Cc1cc[c-]cc1.Cc1cc[c-]cc1.[Y].
What is the InChIKey of ethane;methylbenzene;yttrium?
The InChIKey is CQNMFRSRBAWWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.2C2H6.Y/c2*1-7-5-3-2-4-6-7;2*1-2;/h2*3-6H,1H3;2*1-2H3;/q2*-1;;;.
What are the key properties of ethane;methylbenzene;yttrium?
ethane;methylbenzene;yttrium has a molecular weight of 331.31 g/mol, XLogP of 5.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylbenzene;yttrium is sourced from PubChem (CID 158556230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).