tributyl(diethoxymethyl)stannane

C17H38O2Sn — CID 4197765

IUPACtributyl(diethoxymethyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(OCC)OCC
InChIInChI=1S/C5H11O2.3C4H9.Sn/c1-3-6-5-7-4-2;3*1-3-4-2;/h5H,3-4H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyUQWPDPNIWWMVQK-UHFFFAOYSA-N
MW393.20 g/mol
LogP5.77
Rot. Bonds14

About tributyl(diethoxymethyl)stannane

tributyl(diethoxymethyl)stannane (PubChem CID 4197765) has the molecular formula C17H38O2Sn and a molecular weight of 393.20 g/mol. Its IUPAC name is tributyl(diethoxymethyl)stannane.

Molecular Properties

Compound Nametributyl(diethoxymethyl)stannane
PubChem CID4197765
Molecular FormulaC17H38O2Sn
Molecular Weight393.20 g/mol
Exact Mass394.19
IUPAC Nametributyl(diethoxymethyl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(OCC)OCC
InChIInChI=1S/C5H11O2.3C4H9.Sn/c1-3-6-5-7-4-2;3*1-3-4-2;/h5H,3-4H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyUQWPDPNIWWMVQK-UHFFFAOYSA-N
XLogP5.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.20
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tributyl(diethoxymethyl)stannane 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

tributyl(1-ethoxyethyl)stannane
CID 10926565
tributyl(1-ethoxypentyl)stannane
CID 87709895
tributyl-[(E)-3-ethoxybut-1-enyl]stannane
CID 10340261
tributyl-[(Z)-3,3-diethoxyprop-1-enyl]stannane
CID 14592139
tributyl(3,3-diethoxyprop-1-ynyl)stannane
CID 12764991
tributyl(hexan-2-yl)stannane
CID 88731679
tributyl-[(E)-4,4-diethoxybut-1-enyl]stannane
CID 10574786
(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540
5-ethoxynonane
CID 91187482
dibutyl(diethoxy)stannane
CID 16693734
[(1R)-1-[(E)-but-2-enoxy]propyl]-tributylstannane
CID 11133191
tributyl-[(Z)-4,4-diethoxy-3-methylbut-1-enyl]stannane
CID 14532960

Frequently Asked Questions

What is the IUPAC name of tributyl(diethoxymethyl)stannane?
The IUPAC name of tributyl(diethoxymethyl)stannane (CID 4197765) is tributyl(diethoxymethyl)stannane.
What is the SMILES notation for tributyl(diethoxymethyl)stannane?
The canonical SMILES for tributyl(diethoxymethyl)stannane is CCCC[Sn](CCCC)(CCCC)C(OCC)OCC.
What is the InChIKey of tributyl(diethoxymethyl)stannane?
The InChIKey is UQWPDPNIWWMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2.3C4H9.Sn/c1-3-6-5-7-4-2;3*1-3-4-2;/h5H,3-4H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(diethoxymethyl)stannane?
tributyl(diethoxymethyl)stannane has a molecular weight of 393.20 g/mol, XLogP of 5.77, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(diethoxymethyl)stannane is sourced from PubChem (CID 4197765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).