2-ethyl-1,3-dimethylcyclobutane;yttrium

C8H15Y- — CID 59776218

IUPAC2-ethyl-1,3-dimethylcyclobutane;yttrium
SMILESCCC1C(C)[CH-]C1C.[Y]
InChIInChI=1S/C8H15.Y/c1-4-8-6(2)5-7(8)3;/h5-8H,4H2,1-3H3;/q-1;
InChIKeySHUMRSJJOVDHAJ-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.50
Rot. Bonds1

About 2-ethyl-1,3-dimethylcyclobutane;yttrium

2-ethyl-1,3-dimethylcyclobutane;yttrium (PubChem CID 59776218) has the molecular formula C8H15Y- and a molecular weight of 200.11 g/mol. Its IUPAC name is 2-ethyl-1,3-dimethylcyclobutane;yttrium.

Molecular Properties

Compound Name2-ethyl-1,3-dimethylcyclobutane;yttrium
PubChem CID59776218
Molecular FormulaC8H15Y-
Molecular Weight200.11 g/mol
Exact Mass200.02
IUPAC Name2-ethyl-1,3-dimethylcyclobutane;yttrium
SMILESCCC1C(C)[CH-]C1C.[Y]
InChIInChI=1S/C8H15.Y/c1-4-8-6(2)5-7(8)3;/h5-8H,4H2,1-3H3;/q-1;
InChIKeySHUMRSJJOVDHAJ-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1,3-dimethylcyclobutane;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-ethyl-1,3-dimethylcyclobutane;yttrium?
The IUPAC name of 2-ethyl-1,3-dimethylcyclobutane;yttrium (CID 59776218) is 2-ethyl-1,3-dimethylcyclobutane;yttrium.
What is the SMILES notation for 2-ethyl-1,3-dimethylcyclobutane;yttrium?
The canonical SMILES for 2-ethyl-1,3-dimethylcyclobutane;yttrium is CCC1C(C)[CH-]C1C.[Y].
What is the InChIKey of 2-ethyl-1,3-dimethylcyclobutane;yttrium?
The InChIKey is SHUMRSJJOVDHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.Y/c1-4-8-6(2)5-7(8)3;/h5-8H,4H2,1-3H3;/q-1;.
What are the key properties of 2-ethyl-1,3-dimethylcyclobutane;yttrium?
2-ethyl-1,3-dimethylcyclobutane;yttrium has a molecular weight of 200.11 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-dimethylcyclobutane;yttrium is sourced from PubChem (CID 59776218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).