bis(butoxytin(3+));tris(oxygen(2-))

C8H18O5Sn2 — CID 173037988

IUPACbis(butoxytin(3+));tris(oxygen(2-))
SMILESCCCCO[Sn+3].CCCCO[Sn+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2C4H9O.3O.2Sn/c2*1-2-3-4-5;;;;;/h2*2-4H2,1H3;;;;;/q2*-1;3*-2;2*+4
InChIKeyYXKRFRYHICKCHL-UHFFFAOYSA-N
MW431.65 g/mol
LogP1.42
Rot. Bonds6

About bis(butoxytin(3+));tris(oxygen(2-))

bis(butoxytin(3+));tris(oxygen(2-)) (PubChem CID 173037988) has the molecular formula C8H18O5Sn2 and a molecular weight of 431.65 g/mol. Its IUPAC name is bis(butoxytin(3+));tris(oxygen(2-)).

Molecular Properties

Compound Namebis(butoxytin(3+));tris(oxygen(2-))
PubChem CID173037988
Molecular FormulaC8H18O5Sn2
Molecular Weight431.65 g/mol
Exact Mass433.92
IUPAC Namebis(butoxytin(3+));tris(oxygen(2-))
SMILESCCCCO[Sn+3].CCCCO[Sn+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2C4H9O.3O.2Sn/c2*1-2-3-4-5;;;;;/h2*2-4H2,1H3;;;;;/q2*-1;3*-2;2*+4
InChIKeyYXKRFRYHICKCHL-UHFFFAOYSA-N
XLogP1.42
TPSA103.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(butoxytin(3+));tris(oxygen(2-)) 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(butoxytin(3+));oxalate
CID 175484134
butoxythallium
CID 139687622
1-butylperoxybutane
CID 159275797
1-sulfanyloxypentane
CID 87932932
1-sulfanyloxyoctane
CID 131981999
1-butylperoxybutane;hydrate
CID 158567350
pentane;stannane
CID 173279416
1-butoxybutane;3-butoxypropan-1-ol
CID 174728954
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
aluminum;1-butoxybutane;hydride
CID 174684135
Monobutyl stannane oxide
CID 87106028
1-butylperoxybutane;hydrogen peroxide
CID 162033267

Frequently Asked Questions

What is the IUPAC name of bis(butoxytin(3+));tris(oxygen(2-))?
The IUPAC name of bis(butoxytin(3+));tris(oxygen(2-)) (CID 173037988) is bis(butoxytin(3+));tris(oxygen(2-)).
What is the SMILES notation for bis(butoxytin(3+));tris(oxygen(2-))?
The canonical SMILES for bis(butoxytin(3+));tris(oxygen(2-)) is CCCCO[Sn+3].CCCCO[Sn+3].[O-2].[O-2].[O-2].
What is the InChIKey of bis(butoxytin(3+));tris(oxygen(2-))?
The InChIKey is YXKRFRYHICKCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.3O.2Sn/c2*1-2-3-4-5;;;;;/h2*2-4H2,1H3;;;;;/q2*-1;3*-2;2*+4.
What are the key properties of bis(butoxytin(3+));tris(oxygen(2-))?
bis(butoxytin(3+));tris(oxygen(2-)) has a molecular weight of 431.65 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butoxytin(3+));tris(oxygen(2-)) is sourced from PubChem (CID 173037988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).