tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane

C18H38O2Sn — CID 14902376

IUPACtributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(C)/C=C/OCOC
InChIInChI=1S/C6H11O2.3C4H9.Sn/c1-3-4-5-8-6-7-2;3*1-3-4-2;/h3-5H,6H2,1-2H3;3*1,3-4H2,2H3;/b5-4+;;;;
InChIKeyFVUIUPLNKMLNIA-ZIDOSWBXSA-N
MW405.21 g/mol
LogP6.36
Rot. Bonds14

About tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane

tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane (PubChem CID 14902376) has the molecular formula C18H38O2Sn and a molecular weight of 405.21 g/mol. Its IUPAC name is tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane
PubChem CID14902376
Molecular FormulaC18H38O2Sn
Molecular Weight405.21 g/mol
Exact Mass406.19
IUPAC Nametributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C(C)/C=C/OCOC
InChIInChI=1S/C6H11O2.3C4H9.Sn/c1-3-4-5-8-6-7-2;3*1-3-4-2;/h3-5H,6H2,1-2H3;3*1,3-4H2,2H3;/b5-4+;;;;
InChIKeyFVUIUPLNKMLNIA-ZIDOSWBXSA-N
XLogP6.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.21
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane?
The IUPAC name of tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane (CID 14902376) is tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane.
What is the SMILES notation for tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane?
The canonical SMILES for tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane is CCCC[Sn](CCCC)(CCCC)C(C)/C=C/OCOC.
What is the InChIKey of tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane?
The InChIKey is FVUIUPLNKMLNIA-ZIDOSWBXSA-N. The full InChI is InChI=1S/C6H11O2.3C4H9.Sn/c1-3-4-5-8-6-7-2;3*1-3-4-2;/h3-5H,6H2,1-2H3;3*1,3-4H2,2H3;/b5-4+;;;;.
What are the key properties of tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane?
tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane has a molecular weight of 405.21 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4-(methoxymethoxy)but-3-en-2-yl]stannane is sourced from PubChem (CID 14902376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).