butan-2-one;oxotin

C4H8O2Sn — CID 57474512

IUPACbutan-2-one;oxotin
SMILESCCC(C)=O.O=[Sn]
InChIInChI=1S/C4H8O.O.Sn/c1-3-4(2)5;;/h3H2,1-2H3;;
InChIKeyWMPDDEOAFKNSTC-UHFFFAOYSA-N
MW206.82 g/mol
LogP0.49
Rot. Bonds1

About butan-2-one;oxotin

butan-2-one;oxotin (PubChem CID 57474512) has the molecular formula C4H8O2Sn and a molecular weight of 206.82 g/mol. Its IUPAC name is butan-2-one;oxotin.

Molecular Properties

Compound Namebutan-2-one;oxotin
PubChem CID57474512
Molecular FormulaC4H8O2Sn
Molecular Weight206.82 g/mol
Exact Mass207.95
IUPAC Namebutan-2-one;oxotin
SMILESCCC(C)=O.O=[Sn]
InChIInChI=1S/C4H8O.O.Sn/c1-3-4(2)5;;/h3H2,1-2H3;;
InChIKeyWMPDDEOAFKNSTC-UHFFFAOYSA-N
XLogP0.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.82
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze butan-2-one;oxotin 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

bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935
butan-2-one;methanol;hydrate
CID 18949731
butan-2-one;methane;propan-2-one
CID 159882043
acetylene;butan-2-one
CID 145415849
butan-2-one;methane;propan-2-one
CID 157260382
butan-2-one;ethane;propane
CID 169173049
butane-2,3-dione;butan-2-one
CID 158086231
boric acid;butan-2-one
CID 88852757
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
butan-2-one;ethane;methanamine
CID 172563476
butan-2-one;ethanamine
CID 160998240

Frequently Asked Questions

What is the IUPAC name of butan-2-one;oxotin?
The IUPAC name of butan-2-one;oxotin (CID 57474512) is butan-2-one;oxotin.
What is the SMILES notation for butan-2-one;oxotin?
The canonical SMILES for butan-2-one;oxotin is CCC(C)=O.O=[Sn].
What is the InChIKey of butan-2-one;oxotin?
The InChIKey is WMPDDEOAFKNSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.O.Sn/c1-3-4(2)5;;/h3H2,1-2H3;;.
What are the key properties of butan-2-one;oxotin?
butan-2-one;oxotin has a molecular weight of 206.82 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;oxotin is sourced from PubChem (CID 57474512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).