2,3-dimethylbuta-1,3-diene;pentakis(yttrium)

C6H8Y5-2 — CID 58460586

IUPAC2,3-dimethylbuta-1,3-diene;pentakis(yttrium)
SMILES[H]/[C-]=C(C)\C(C)=[C-]/[H].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H8.5Y/c1-5(2)6(3)4;;;;;/h1,3H,2,4H3;;;;;/q-2;;;;;
InChIKeyHXEXNYLKXXFVOP-UHFFFAOYSA-N
MW524.66 g/mol
LogP1.73
Rot. Bonds1

About 2,3-dimethylbuta-1,3-diene;pentakis(yttrium)

2,3-dimethylbuta-1,3-diene;pentakis(yttrium) (PubChem CID 58460586) has the molecular formula C6H8Y5-2 and a molecular weight of 524.66 g/mol. Its IUPAC name is 2,3-dimethylbuta-1,3-diene;pentakis(yttrium).

Molecular Properties

Compound Name2,3-dimethylbuta-1,3-diene;pentakis(yttrium)
PubChem CID58460586
Molecular FormulaC6H8Y5-2
Molecular Weight524.66 g/mol
Exact Mass524.59
IUPAC Name2,3-dimethylbuta-1,3-diene;pentakis(yttrium)
SMILES[H]/[C-]=C(C)\C(C)=[C-]/[H].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C6H8.5Y/c1-5(2)6(3)4;;;;;/h1,3H,2,4H3;;;;;/q-2;;;;;
InChIKeyHXEXNYLKXXFVOP-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.66
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-dimethylbuta-1,3-diene;pentakis(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 2,3-dimethylbuta-1,3-diene;pentakis(yttrium)?
The IUPAC name of 2,3-dimethylbuta-1,3-diene;pentakis(yttrium) (CID 58460586) is 2,3-dimethylbuta-1,3-diene;pentakis(yttrium).
What is the SMILES notation for 2,3-dimethylbuta-1,3-diene;pentakis(yttrium)?
The canonical SMILES for 2,3-dimethylbuta-1,3-diene;pentakis(yttrium) is [H]/[C-]=C(C)\C(C)=[C-]/[H].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 2,3-dimethylbuta-1,3-diene;pentakis(yttrium)?
The InChIKey is HXEXNYLKXXFVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.5Y/c1-5(2)6(3)4;;;;;/h1,3H,2,4H3;;;;;/q-2;;;;;.
What are the key properties of 2,3-dimethylbuta-1,3-diene;pentakis(yttrium)?
2,3-dimethylbuta-1,3-diene;pentakis(yttrium) has a molecular weight of 524.66 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbuta-1,3-diene;pentakis(yttrium) is sourced from PubChem (CID 58460586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).