butan-2-yloxymercury

C4H9HgO — CID 144602861

IUPACbutan-2-yloxymercury
SMILESCCC(C)O[Hg]
InChIInChI=1S/C4H9O.Hg/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyIIZKSJRMOAGLJU-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.26
Rot. Bonds2

About butan-2-yloxymercury

butan-2-yloxymercury (PubChem CID 144602861) has the molecular formula C4H9HgO and a molecular weight of 273.70 g/mol. Its IUPAC name is butan-2-yloxymercury.

Molecular Properties

Compound Namebutan-2-yloxymercury
PubChem CID144602861
Molecular FormulaC4H9HgO
Molecular Weight273.70 g/mol
Exact Mass275.04
IUPAC Namebutan-2-yloxymercury
SMILESCCC(C)O[Hg]
InChIInChI=1S/C4H9O.Hg/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1
InChIKeyIIZKSJRMOAGLJU-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butan-2-yloxymercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;2-butan-2-yloxybutane
CID 87187028
2-(2-methylpropylperoxy)butane
CID 57278946
methane;2-methoxybutane
CID 162124465
CID 173228118
CID 173228118
butan-2-yloxyalumane
CID 173404497
tri(butan-2-yloxy)bismuthane
CID 139902466
2-butan-2-yloxybutane;ethanol
CID 88614162
2,2-di(butan-2-yloxy)ethanamine;hydrobromide
CID 173067148
(2S)-2-[[(2S)-butan-2-yl]oxydisulfanyl]oxybutane;methane
CID 162220733
butan-2-yloxy(dimethyl)silane
CID 123806179
tri(butan-2-yloxy)alumane;hydrate
CID 141014531
2,2-di(butan-2-yloxy)ethenylsilane
CID 175600505

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxymercury?
The IUPAC name of butan-2-yloxymercury (CID 144602861) is butan-2-yloxymercury.
What is the SMILES notation for butan-2-yloxymercury?
The canonical SMILES for butan-2-yloxymercury is CCC(C)O[Hg].
What is the InChIKey of butan-2-yloxymercury?
The InChIKey is IIZKSJRMOAGLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Hg/c1-3-4(2)5;/h4H,3H2,1-2H3;/q-1;+1.
What are the key properties of butan-2-yloxymercury?
butan-2-yloxymercury has a molecular weight of 273.70 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxymercury is sourced from PubChem (CID 144602861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).