hydroxy-oxo-propan-2-yltin

C3H8O2Sn — CID 135049255

IUPAChydroxy-oxo-propan-2-yltin
SMILESCC(C)[Sn](=O)O
InChIInChI=1S/C3H7.H2O.O.Sn/c1-3-2;;;/h3H,1-2H3;1H2;;/q;;;+1/p-1
InChIKeyIWKPGJOLHSGBNX-UHFFFAOYSA-M
MW194.81 g/mol
LogP0.31
Rot. Bonds1

About hydroxy-oxo-propan-2-yltin

hydroxy-oxo-propan-2-yltin (PubChem CID 135049255) has the molecular formula C3H8O2Sn and a molecular weight of 194.81 g/mol. Its IUPAC name is hydroxy-oxo-propan-2-yltin.

Molecular Properties

Compound Namehydroxy-oxo-propan-2-yltin
PubChem CID135049255
Molecular FormulaC3H8O2Sn
Molecular Weight194.81 g/mol
Exact Mass195.95
IUPAC Namehydroxy-oxo-propan-2-yltin
SMILESCC(C)[Sn](=O)O
InChIInChI=1S/C3H7.H2O.O.Sn/c1-3-2;;;/h3H,1-2H3;1H2;;/q;;;+1/p-1
InChIKeyIWKPGJOLHSGBNX-UHFFFAOYSA-M
XLogP0.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.81
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze hydroxy-oxo-propan-2-yltin 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

Butylstannonic acid
CID 16767
Butylchlorotin dihydroxide
CID 83368
Butyl(hydroxy)stannanone--water (1/1)
CID 16212264
Butyltin tris(hydroxide)
CID 10944166
Monobutyltin dihydroxide monochloride
CID 22041947
Butyltin(3+);chloride;dihydroxide
CID 163325169
CID 170851657
CID 170851657
Butyl(oxo)stannane;hydrate
CID 6096652
Butyl(chloro)tin dihydrate
CID 6101613
Butyltin(3+);oxygen(2-);hydroxide
CID 10130501
Butyltin(3+);fluoride;dihydroxide
CID 22237869
Butyltin(3+);dihydroxide;iodide
CID 22237870

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-propan-2-yltin?
The IUPAC name of hydroxy-oxo-propan-2-yltin (CID 135049255) is hydroxy-oxo-propan-2-yltin.
What is the SMILES notation for hydroxy-oxo-propan-2-yltin?
The canonical SMILES for hydroxy-oxo-propan-2-yltin is CC(C)[Sn](=O)O.
What is the InChIKey of hydroxy-oxo-propan-2-yltin?
The InChIKey is IWKPGJOLHSGBNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7.H2O.O.Sn/c1-3-2;;;/h3H,1-2H3;1H2;;/q;;;+1/p-1.
What are the key properties of hydroxy-oxo-propan-2-yltin?
hydroxy-oxo-propan-2-yltin has a molecular weight of 194.81 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-propan-2-yltin is sourced from PubChem (CID 135049255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).