1-tert-butyl-3-methylbenzene-2-ide;yttrium

C11H15Y- — CID 176734878

IUPAC1-tert-butyl-3-methylbenzene-2-ide;yttrium
SMILESCc1[c-]c(C(C)(C)C)ccc1.[Y]
InChIInChI=1S/C11H15.Y/c1-9-6-5-7-10(8-9)11(2,3)4;/h5-7H,1-4H3;/q-1;
InChIKeyZXFMBBANDXKDLV-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.09
Rot. Bonds

About 1-tert-butyl-3-methylbenzene-2-ide;yttrium

1-tert-butyl-3-methylbenzene-2-ide;yttrium (PubChem CID 176734878) has the molecular formula C11H15Y- and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-tert-butyl-3-methylbenzene-2-ide;yttrium.

Molecular Properties

Compound Name1-tert-butyl-3-methylbenzene-2-ide;yttrium
PubChem CID176734878
Molecular FormulaC11H15Y-
Molecular Weight236.15 g/mol
Exact Mass236.02
IUPAC Name1-tert-butyl-3-methylbenzene-2-ide;yttrium
SMILESCc1[c-]c(C(C)(C)C)ccc1.[Y]
InChIInChI=1S/C11H15.Y/c1-9-6-5-7-10(8-9)11(2,3)4;/h5-7H,1-4H3;/q-1;
InChIKeyZXFMBBANDXKDLV-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-methylbenzene-2-ide;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

1,3-dimethylbenzene-2-ide;titanium(3+);dichloride
CID 87514740
1,3-dimethylbenzene-2-ide;iron
CID 175995533
1,3-ditert-butylbenzene-2-ide;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 87146211
cyclopenta-1,3-diene;1,3-dimethylbenzene-2-ide;titanium(4+);dichloride
CID 87146569
5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;3-tert-butyl-2H-pyridin-2-ide;methane;yttrium
CID 159075724
bis(2,7-ditert-butyl-4-methyl-1,9-dihydrofluoren-1-ide);bis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(4+));tetrachloride
CID 161372658
tetrakis(2-methyl-1,9-dihydrofluoren-1-ide);bis(zirconium(2+));dichloride
CID 18469369
bis(2-methyl-1,9-dihydrofluoren-1-ide);titanium(4+);dichloride
CID 87200949
bis(tert-butylbenzene);imino(oxo)zirconium
CID 175344733
lithium 1,3,5-tritert-butylbenzene-6-ide
CID 12536481
1-tert-butyl-4-methylbenzene
CID 163486601
1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)
CID 58904404

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylbenzene-2-ide;yttrium?
The IUPAC name of 1-tert-butyl-3-methylbenzene-2-ide;yttrium (CID 176734878) is 1-tert-butyl-3-methylbenzene-2-ide;yttrium.
What is the SMILES notation for 1-tert-butyl-3-methylbenzene-2-ide;yttrium?
The canonical SMILES for 1-tert-butyl-3-methylbenzene-2-ide;yttrium is Cc1[c-]c(C(C)(C)C)ccc1.[Y].
What is the InChIKey of 1-tert-butyl-3-methylbenzene-2-ide;yttrium?
The InChIKey is ZXFMBBANDXKDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15.Y/c1-9-6-5-7-10(8-9)11(2,3)4;/h5-7H,1-4H3;/q-1;.
What are the key properties of 1-tert-butyl-3-methylbenzene-2-ide;yttrium?
1-tert-butyl-3-methylbenzene-2-ide;yttrium has a molecular weight of 236.15 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylbenzene-2-ide;yttrium is sourced from PubChem (CID 176734878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).