4-dimethylbismuthanylcyclohexan-1-one

C8H15BiO — CID 87643885

IUPAC4-dimethylbismuthanylcyclohexan-1-one
SMILESC[Bi](C)C1CCC(=O)CC1
InChIInChI=1S/C6H9O.2CH3.Bi/c7-6-4-2-1-3-5-6;;;/h1H,2-5H2;2*1H3;
InChIKeyAURKFGLGSIOZKO-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.25
Rot. Bonds1

About 4-dimethylbismuthanylcyclohexan-1-one

4-dimethylbismuthanylcyclohexan-1-one (PubChem CID 87643885) has the molecular formula C8H15BiO and a molecular weight of 336.19 g/mol. Its IUPAC name is 4-dimethylbismuthanylcyclohexan-1-one.

Molecular Properties

Compound Name4-dimethylbismuthanylcyclohexan-1-one
PubChem CID87643885
Molecular FormulaC8H15BiO
Molecular Weight336.19 g/mol
Exact Mass336.09
IUPAC Name4-dimethylbismuthanylcyclohexan-1-one
SMILESC[Bi](C)C1CCC(=O)CC1
InChIInChI=1S/C6H9O.2CH3.Bi/c7-6-4-2-1-3-5-6;;;/h1H,2-5H2;2*1H3;
InChIKeyAURKFGLGSIOZKO-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-dimethylbismuthanylcyclohexan-1-one 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 4-dimethylbismuthanylcyclohexan-1-one?
The IUPAC name of 4-dimethylbismuthanylcyclohexan-1-one (CID 87643885) is 4-dimethylbismuthanylcyclohexan-1-one.
What is the SMILES notation for 4-dimethylbismuthanylcyclohexan-1-one?
The canonical SMILES for 4-dimethylbismuthanylcyclohexan-1-one is C[Bi](C)C1CCC(=O)CC1.
What is the InChIKey of 4-dimethylbismuthanylcyclohexan-1-one?
The InChIKey is AURKFGLGSIOZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O.2CH3.Bi/c7-6-4-2-1-3-5-6;;;/h1H,2-5H2;2*1H3;.
What are the key properties of 4-dimethylbismuthanylcyclohexan-1-one?
4-dimethylbismuthanylcyclohexan-1-one has a molecular weight of 336.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylbismuthanylcyclohexan-1-one is sourced from PubChem (CID 87643885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).