butyl-methoxy-oxotin

C5H12O2Sn — CID 87371916

IUPACbutyl-methoxy-oxotin
SMILESCCCC[Sn](=O)OC
InChIInChI=1S/C4H9.CH3O.O.Sn/c1-3-4-2;1-2;;/h1,3-4H2,2H3;1H3;;/q;-1;;+1
InChIKeyIOAQZGOEIFKBKV-UHFFFAOYSA-N
MW222.86 g/mol
LogP1.35
Rot. Bonds4

About butyl-methoxy-oxotin

butyl-methoxy-oxotin (PubChem CID 87371916) has the molecular formula C5H12O2Sn and a molecular weight of 222.86 g/mol. Its IUPAC name is butyl-methoxy-oxotin.

Molecular Properties

Compound Namebutyl-methoxy-oxotin
PubChem CID87371916
Molecular FormulaC5H12O2Sn
Molecular Weight222.86 g/mol
Exact Mass223.99
IUPAC Namebutyl-methoxy-oxotin
SMILESCCCC[Sn](=O)OC
InChIInChI=1S/C4H9.CH3O.O.Sn/c1-3-4-2;1-2;;/h1,3-4H2,2H3;1H3;;/q;-1;;+1
InChIKeyIOAQZGOEIFKBKV-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.86
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butyl-methoxy-oxotin?
The IUPAC name of butyl-methoxy-oxotin (CID 87371916) is butyl-methoxy-oxotin.
What is the SMILES notation for butyl-methoxy-oxotin?
The canonical SMILES for butyl-methoxy-oxotin is CCCC[Sn](=O)OC.
What is the InChIKey of butyl-methoxy-oxotin?
The InChIKey is IOAQZGOEIFKBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.CH3O.O.Sn/c1-3-4-2;1-2;;/h1,3-4H2,2H3;1H3;;/q;-1;;+1.
What are the key properties of butyl-methoxy-oxotin?
butyl-methoxy-oxotin has a molecular weight of 222.86 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methoxy-oxotin is sourced from PubChem (CID 87371916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).