cyclohexane;ethanone;yttrium

C8H14OY-2 — CID 164802102

IUPACcyclohexane;ethanone;yttrium
SMILESC[C-]=O.[CH-]1CCCCC1.[Y]
InChIInChI=1S/C6H11.C2H3O.Y/c1-2-4-6-5-3-1;1-2-3;/h1H,2-6H2;1H3;/q2*-1;
InChIKeyQCJMUVLBESAWJT-UHFFFAOYSA-N
MW215.10 g/mol
LogP2.27
Rot. Bonds

About cyclohexane;ethanone;yttrium

cyclohexane;ethanone;yttrium (PubChem CID 164802102) has the molecular formula C8H14OY-2 and a molecular weight of 215.10 g/mol. Its IUPAC name is cyclohexane;ethanone;yttrium.

Molecular Properties

Compound Namecyclohexane;ethanone;yttrium
PubChem CID164802102
Molecular FormulaC8H14OY-2
Molecular Weight215.10 g/mol
Exact Mass215.01
IUPAC Namecyclohexane;ethanone;yttrium
SMILESC[C-]=O.[CH-]1CCCCC1.[Y]
InChIInChI=1S/C6H11.C2H3O.Y/c1-2-4-6-5-3-1;1-2-3;/h1H,2-6H2;1H3;/q2*-1;
InChIKeyQCJMUVLBESAWJT-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexane;ethanone;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 cyclohexane;ethanone;yttrium?
The IUPAC name of cyclohexane;ethanone;yttrium (CID 164802102) is cyclohexane;ethanone;yttrium.
What is the SMILES notation for cyclohexane;ethanone;yttrium?
The canonical SMILES for cyclohexane;ethanone;yttrium is C[C-]=O.[CH-]1CCCCC1.[Y].
What is the InChIKey of cyclohexane;ethanone;yttrium?
The InChIKey is QCJMUVLBESAWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.C2H3O.Y/c1-2-4-6-5-3-1;1-2-3;/h1H,2-6H2;1H3;/q2*-1;.
What are the key properties of cyclohexane;ethanone;yttrium?
cyclohexane;ethanone;yttrium has a molecular weight of 215.10 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethanone;yttrium is sourced from PubChem (CID 164802102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).