2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium

C7H11OSY- — CID 134860180

IUPAC2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium
SMILESCSC1(C)[CH-]CCC1=O.[Y]
InChIInChI=1S/C7H11OS.Y/c1-7(9-2)5-3-4-6(7)8;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyXNEPYDFHTYMXDE-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.67
Rot. Bonds1

About 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium

2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium (PubChem CID 134860180) has the molecular formula C7H11OSY- and a molecular weight of 232.14 g/mol. Its IUPAC name is 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium.

Molecular Properties

Compound Name2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium
PubChem CID134860180
Molecular FormulaC7H11OSY-
Molecular Weight232.14 g/mol
Exact Mass231.96
IUPAC Name2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium
SMILESCSC1(C)[CH-]CCC1=O.[Y]
InChIInChI=1S/C7H11OS.Y/c1-7(9-2)5-3-4-6(7)8;/h5H,3-4H2,1-2H3;/q-1;
InChIKeyXNEPYDFHTYMXDE-UHFFFAOYSA-N
XLogP1.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-methylsulfanylcyclopentan-1-one;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-methyl-2-methylsulfanylcyclopentan-1-one;yttrium?
The IUPAC name of 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium (CID 134860180) is 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium.
What is the SMILES notation for 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium?
The canonical SMILES for 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium is CSC1(C)[CH-]CCC1=O.[Y].
What is the InChIKey of 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium?
The InChIKey is XNEPYDFHTYMXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11OS.Y/c1-7(9-2)5-3-4-6(7)8;/h5H,3-4H2,1-2H3;/q-1;.
What are the key properties of 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium?
2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium has a molecular weight of 232.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfanylcyclopentan-1-one;yttrium is sourced from PubChem (CID 134860180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).