bis(2,3-dimethylbutane);yttrium

C12H26Y-2 — CID 58400060

IUPACbis(2,3-dimethylbutane);yttrium
SMILESC[C-](C)C(C)C.C[C-](C)C(C)C.[Y]
InChIInChI=1S/2C6H13.Y/c2*1-5(2)6(3)4;/h2*5H,1-4H3;/q2*-1;
InChIKeyRALBCDGMSIXYED-UHFFFAOYSA-N
MW259.25 g/mol
LogP4.51
Rot. Bonds2

About bis(2,3-dimethylbutane);yttrium

bis(2,3-dimethylbutane);yttrium (PubChem CID 58400060) has the molecular formula C12H26Y-2 and a molecular weight of 259.25 g/mol. Its IUPAC name is bis(2,3-dimethylbutane);yttrium.

Molecular Properties

Compound Namebis(2,3-dimethylbutane);yttrium
PubChem CID58400060
Molecular FormulaC12H26Y-2
Molecular Weight259.25 g/mol
Exact Mass259.11
IUPAC Namebis(2,3-dimethylbutane);yttrium
SMILESC[C-](C)C(C)C.C[C-](C)C(C)C.[Y]
InChIInChI=1S/2C6H13.Y/c2*1-5(2)6(3)4;/h2*5H,1-4H3;/q2*-1;
InChIKeyRALBCDGMSIXYED-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 54.51
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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Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylbutane);yttrium?
The IUPAC name of bis(2,3-dimethylbutane);yttrium (CID 58400060) is bis(2,3-dimethylbutane);yttrium.
What is the SMILES notation for bis(2,3-dimethylbutane);yttrium?
The canonical SMILES for bis(2,3-dimethylbutane);yttrium is C[C-](C)C(C)C.C[C-](C)C(C)C.[Y].
What is the InChIKey of bis(2,3-dimethylbutane);yttrium?
The InChIKey is RALBCDGMSIXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13.Y/c2*1-5(2)6(3)4;/h2*5H,1-4H3;/q2*-1;.
What are the key properties of bis(2,3-dimethylbutane);yttrium?
bis(2,3-dimethylbutane);yttrium has a molecular weight of 259.25 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylbutane);yttrium is sourced from PubChem (CID 58400060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).