4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)

C12H16Y3-2 — CID 59323590

IUPAC4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)
SMILES[CH2-]C(C)c1[c-]cc(C(C)C)cc1.[Y].[Y].[Y]
InChIInChI=1S/C12H16.3Y/c1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h5,7-10H,1H2,2-4H3;;;/q-2;;;
InChIKeyMFZNUZYHHHPSLS-UHFFFAOYSA-N
MW426.98 g/mol
LogP3.54
Rot. Bonds2

About 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)

4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium) (PubChem CID 59323590) has the molecular formula C12H16Y3-2 and a molecular weight of 426.98 g/mol. Its IUPAC name is 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium).

Molecular Properties

Compound Name4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)
PubChem CID59323590
Molecular FormulaC12H16Y3-2
Molecular Weight426.98 g/mol
Exact Mass426.84
IUPAC Name4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)
SMILES[CH2-]C(C)c1[c-]cc(C(C)C)cc1.[Y].[Y].[Y]
InChIInChI=1S/C12H16.3Y/c1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h5,7-10H,1H2,2-4H3;;;/q-2;;;
InChIKeyMFZNUZYHHHPSLS-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.98
LogP ≤ 53.54
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

[(2R)-propan-2-yl]benzene;yttrium
CID 59679687
magnesium;1-methanidyl-4-propan-2-ylbenzene;chloride
CID 11469592
cumene;ruthenium(2+);dichloride
CID 23094461
carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))
CID 158638059
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
cumene
CID 161227923
propan-2-ylbenzene;yttrium
CID 156720402
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)?
The IUPAC name of 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium) (CID 59323590) is 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium).
What is the SMILES notation for 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)?
The canonical SMILES for 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium) is [CH2-]C(C)c1[c-]cc(C(C)C)cc1.[Y].[Y].[Y].
What is the InChIKey of 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)?
The InChIKey is MFZNUZYHHHPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.3Y/c1-9(2)11-5-7-12(8-6-11)10(3)4;;;/h5,7-10H,1H2,2-4H3;;;/q-2;;;.
What are the key properties of 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium)?
4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium) has a molecular weight of 426.98 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-propan-2-ylbenzene-6-ide;tris(yttrium) is sourced from PubChem (CID 59323590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).