methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)

C29H40Y2-2 — CID 158850715

IUPACmethane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)
SMILESC.CC(C)c1[c-]cccc1.CC(C)c1c[c-]ccc1.Cc1ccc(C(C)C)cc1.[Y].[Y]
InChIInChI=1S/C10H14.2C9H11.CH4.2Y/c1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;;;/h4-8H,1-3H3;3-4,6-8H,1-2H3;3-6,8H,1-2H3;1H4;;/q;2*-1;;;
InChIKeyYTYWHXGVELHMAE-UHFFFAOYSA-N
MW566.45 g/mol
LogP8.97
Rot. Bonds3

About methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)

methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium) (PubChem CID 158850715) has the molecular formula C29H40Y2-2 and a molecular weight of 566.45 g/mol. Its IUPAC name is methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium).

Molecular Properties

Compound Namemethane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)
PubChem CID158850715
Molecular FormulaC29H40Y2-2
Molecular Weight566.45 g/mol
Exact Mass566.13
IUPAC Namemethane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)
SMILESC.CC(C)c1[c-]cccc1.CC(C)c1c[c-]ccc1.Cc1ccc(C(C)C)cc1.[Y].[Y]
InChIInChI=1S/C10H14.2C9H11.CH4.2Y/c1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;;;/h4-8H,1-3H3;3-4,6-8H,1-2H3;3-6,8H,1-2H3;1H4;;/q;2*-1;;;
InChIKeyYTYWHXGVELHMAE-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.45
LogP ≤ 58.97
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

propan-2-ylbenzene;yttrium
CID 58365433
cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
carbanide;methane;methylbenzene;methylbenzene;methylbenzene;tris(yttrium)
CID 161381388
bis(chlororuthenium(1+));bis(1-methyl-4-propan-2-ylbenzene);dichloride
CID 11319478
cumene;ethane;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 158230209
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
aniline;1-methyl-4-propan-2-ylbenzene
CID 19435769
[(2R)-propan-2-yl]benzene;yttrium
CID 59679687
berkelium;methylbenzene;1,4-xylene
CID 160800494

Frequently Asked Questions

What is the IUPAC name of methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)?
The IUPAC name of methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium) (CID 158850715) is methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium).
What is the SMILES notation for methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)?
The canonical SMILES for methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium) is C.CC(C)c1[c-]cccc1.CC(C)c1c[c-]ccc1.Cc1ccc(C(C)C)cc1.[Y].[Y].
What is the InChIKey of methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)?
The InChIKey is YTYWHXGVELHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C9H11.CH4.2Y/c1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;;;/h4-8H,1-3H3;3-4,6-8H,1-2H3;3-6,8H,1-2H3;1H4;;/q;2*-1;;;.
What are the key properties of methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium)?
methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium) has a molecular weight of 566.45 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methyl-4-propan-2-ylbenzene;propan-2-ylbenzene;propan-2-ylbenzene;bis(yttrium) is sourced from PubChem (CID 158850715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).