bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)

C26H50Y2-2 — CID 159966865

IUPACbis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)
SMILESC[C-]1CC(C)(C(C)(C)C(C)(C)C)C1.C[C-]1CC(C)(C(C)(C)C(C)(C)C)C1.[Y].[Y]
InChIInChI=1S/2C13H25.2Y/c2*1-10-8-13(7,9-10)12(5,6)11(2,3)4;;/h2*8-9H2,1-7H3;;/q2*-1;;
InChIKeyXNMWNFLJTMKCCA-UHFFFAOYSA-N
MW540.50 g/mol
LogP8.90
Rot. Bonds2

About bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)

bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium) (PubChem CID 159966865) has the molecular formula C26H50Y2-2 and a molecular weight of 540.50 g/mol. Its IUPAC name is bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium).

Molecular Properties

Compound Namebis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)
PubChem CID159966865
Molecular FormulaC26H50Y2-2
Molecular Weight540.50 g/mol
Exact Mass540.20
IUPAC Namebis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)
SMILESC[C-]1CC(C)(C(C)(C)C(C)(C)C)C1.C[C-]1CC(C)(C(C)(C)C(C)(C)C)C1.[Y].[Y]
InChIInChI=1S/2C13H25.2Y/c2*1-10-8-13(7,9-10)12(5,6)11(2,3)4;;/h2*8-9H2,1-7H3;;/q2*-1;;
InChIKeyXNMWNFLJTMKCCA-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.50
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)?
The IUPAC name of bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium) (CID 159966865) is bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium).
What is the SMILES notation for bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)?
The canonical SMILES for bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium) is C[C-]1CC(C)(C(C)(C)C(C)(C)C)C1.C[C-]1CC(C)(C(C)(C)C(C)(C)C)C1.[Y].[Y].
What is the InChIKey of bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)?
The InChIKey is XNMWNFLJTMKCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25.2Y/c2*1-10-8-13(7,9-10)12(5,6)11(2,3)4;;/h2*8-9H2,1-7H3;;/q2*-1;;.
What are the key properties of bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium)?
bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium) has a molecular weight of 540.50 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-dimethyl-1-(2,3,3-trimethylbutan-2-yl)cyclobutane);bis(yttrium) is sourced from PubChem (CID 159966865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).