1,3-dimethylbenzene-5-ide;methylbenzene;yttrium

C15H16Y-2 — CID 59372723

IUPAC1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
SMILESCc1c[c-]cc(C)c1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C8H9.C7H7.Y/c1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;/h4-6H,1-2H3;3-6H,1H3;/q2*-1;
InChIKeyHSEXDJZTXMZHMZ-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.90
Rot. Bonds

About 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium

1,3-dimethylbenzene-5-ide;methylbenzene;yttrium (PubChem CID 59372723) has the molecular formula C15H16Y-2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium.

Molecular Properties

Compound Name1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
PubChem CID59372723
Molecular FormulaC15H16Y-2
Molecular Weight285.20 g/mol
Exact Mass285.03
IUPAC Name1,3-dimethylbenzene-5-ide;methylbenzene;yttrium
SMILESCc1c[c-]cc(C)c1.Cc1cc[c-]cc1.[Y]
InChIInChI=1S/C8H9.C7H7.Y/c1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;/h4-6H,1-2H3;3-6H,1H3;/q2*-1;
InChIKeyHSEXDJZTXMZHMZ-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;methylbenzene;yttrium
CID 160876865
ethane;methylbenzene;yttrium
CID 158556230
methane;methylbenzene;yttrium
CID 158936681
magnesium;methylbenzene;chloride;hydrobromide
CID 87204624
1,3-dimethylbenzene-5-ide;rutherfordium
CID 59305830
methylbenzene;zirconium
CID 154186584
cobalt(3+);methylbenzene
CID 156753430
methylbenzene;yttrium(3+)
CID 22952606
methanol;methylbenzene;titanium
CID 141397968
magnesium;1,3-dimethylbenzene-5-ide;ethane
CID 174288802
methylbenzene;methylbenzene;rutherfordium
CID 59021339
methylbenzene;triiodotitanium(1+)
CID 18688117

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium?
The IUPAC name of 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium (CID 59372723) is 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium.
What is the SMILES notation for 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium?
The canonical SMILES for 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium is Cc1c[c-]cc(C)c1.Cc1cc[c-]cc1.[Y].
What is the InChIKey of 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium?
The InChIKey is HSEXDJZTXMZHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.C7H7.Y/c1-7-4-3-5-8(2)6-7;1-7-5-3-2-4-6-7;/h4-6H,1-2H3;3-6H,1H3;/q2*-1;.
What are the key properties of 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium?
1,3-dimethylbenzene-5-ide;methylbenzene;yttrium has a molecular weight of 285.20 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbenzene-5-ide;methylbenzene;yttrium is sourced from PubChem (CID 59372723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).