bis(2-methylbutane);yttrium

C10H22Y-2 — CID 140616958

IUPACbis(2-methylbutane);yttrium
SMILES[CH2-]CC(C)C.[CH2-]CC(C)C.[Y]
InChIInChI=1S/2C5H11.Y/c2*1-4-5(2)3;/h2*5H,1,4H2,2-3H3;/q2*-1;
InChIKeyKVCHLBCDOLQNDN-UHFFFAOYSA-N
MW231.19 g/mol
LogP3.73
Rot. Bonds2

About bis(2-methylbutane);yttrium

bis(2-methylbutane);yttrium (PubChem CID 140616958) has the molecular formula C10H22Y-2 and a molecular weight of 231.19 g/mol. Its IUPAC name is bis(2-methylbutane);yttrium.

Molecular Properties

Compound Namebis(2-methylbutane);yttrium
PubChem CID140616958
Molecular FormulaC10H22Y-2
Molecular Weight231.19 g/mol
Exact Mass231.08
IUPAC Namebis(2-methylbutane);yttrium
SMILES[CH2-]CC(C)C.[CH2-]CC(C)C.[Y]
InChIInChI=1S/2C5H11.Y/c2*1-4-5(2)3;/h2*5H,1,4H2,2-3H3;/q2*-1;
InChIKeyKVCHLBCDOLQNDN-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(2-methylbutane);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(2-methylbutane);yttrium?
The IUPAC name of bis(2-methylbutane);yttrium (CID 140616958) is bis(2-methylbutane);yttrium.
What is the SMILES notation for bis(2-methylbutane);yttrium?
The canonical SMILES for bis(2-methylbutane);yttrium is [CH2-]CC(C)C.[CH2-]CC(C)C.[Y].
What is the InChIKey of bis(2-methylbutane);yttrium?
The InChIKey is KVCHLBCDOLQNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11.Y/c2*1-4-5(2)3;/h2*5H,1,4H2,2-3H3;/q2*-1;.
What are the key properties of bis(2-methylbutane);yttrium?
bis(2-methylbutane);yttrium has a molecular weight of 231.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylbutane);yttrium is sourced from PubChem (CID 140616958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).