2,3-dimethylbutylbenzene;yttrium(3+)

C12H17Y+2 — CID 20744997

IUPAC2,3-dimethylbutylbenzene;yttrium(3+)
SMILESC[C-](C)C(C)Cc1ccccc1.[Y+3]
InChIInChI=1S/C12H17.Y/c1-10(2)11(3)9-12-7-5-4-6-8-12;/h4-8,11H,9H2,1-3H3;/q-1;+3
InChIKeyFJYROGRUJCXLMR-UHFFFAOYSA-N
MW250.17 g/mol
LogP3.48
Rot. Bonds3

About 2,3-dimethylbutylbenzene;yttrium(3+)

2,3-dimethylbutylbenzene;yttrium(3+) (PubChem CID 20744997) has the molecular formula C12H17Y+2 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2,3-dimethylbutylbenzene;yttrium(3+).

Molecular Properties

Compound Name2,3-dimethylbutylbenzene;yttrium(3+)
PubChem CID20744997
Molecular FormulaC12H17Y+2
Molecular Weight250.17 g/mol
Exact Mass250.04
IUPAC Name2,3-dimethylbutylbenzene;yttrium(3+)
SMILESC[C-](C)C(C)Cc1ccccc1.[Y+3]
InChIInChI=1S/C12H17.Y/c1-10(2)11(3)9-12-7-5-4-6-8-12;/h4-8,11H,9H2,1-3H3;/q-1;+3
InChIKeyFJYROGRUJCXLMR-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 53.48
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

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CID 162200929
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(2-benzyl-3-methylbutyl)benzene
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2,3-dimethylbutylbenzene
CID 12054035
N-(1-phenylpropan-2-yl)thiohydroxylamine
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(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
azane;1-phenylpropan-2-amine
CID 67350534
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
2-(1-phenylpropan-2-yldiselanyl)propylbenzene
CID 10430842
2-(1-phenylpropan-2-ylsulfanyl)propylbenzene
CID 54020094
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
ethane;2-methyl-3-phenylpropanoic acid
CID 90856303

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutylbenzene;yttrium(3+)?
The IUPAC name of 2,3-dimethylbutylbenzene;yttrium(3+) (CID 20744997) is 2,3-dimethylbutylbenzene;yttrium(3+).
What is the SMILES notation for 2,3-dimethylbutylbenzene;yttrium(3+)?
The canonical SMILES for 2,3-dimethylbutylbenzene;yttrium(3+) is C[C-](C)C(C)Cc1ccccc1.[Y+3].
What is the InChIKey of 2,3-dimethylbutylbenzene;yttrium(3+)?
The InChIKey is FJYROGRUJCXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17.Y/c1-10(2)11(3)9-12-7-5-4-6-8-12;/h4-8,11H,9H2,1-3H3;/q-1;+3.
What are the key properties of 2,3-dimethylbutylbenzene;yttrium(3+)?
2,3-dimethylbutylbenzene;yttrium(3+) has a molecular weight of 250.17 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutylbenzene;yttrium(3+) is sourced from PubChem (CID 20744997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).