tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane

C26H46O4Sn — CID 11307247

IUPACtributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/c1cc(OC)c(C)c(OC)c1OCOC)(CCCC)CCCC
InChIInChI=1S/C14H19O4.3C4H9.Sn/c1-6-7-11-8-12(16-4)10(2)13(17-5)14(11)18-9-15-3;3*1-3-4-2;/h6-8H,1,9H2,2-5H3;3*1,3-4H2,2H3;/b7-6+;;;;
InChIKeyNWZYCXWIGGHKMN-MNPOOLNOSA-N
MW541.36 g/mol
LogP7.86
Rot. Bonds17

About tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane

tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane (PubChem CID 11307247) has the molecular formula C26H46O4Sn and a molecular weight of 541.36 g/mol. Its IUPAC name is tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane
PubChem CID11307247
Molecular FormulaC26H46O4Sn
Molecular Weight541.36 g/mol
Exact Mass542.24
IUPAC Nametributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/c1cc(OC)c(C)c(OC)c1OCOC)(CCCC)CCCC
InChIInChI=1S/C14H19O4.3C4H9.Sn/c1-6-7-11-8-12(16-4)10(2)13(17-5)14(11)18-9-15-3;3*1-3-4-2;/h6-8H,1,9H2,2-5H3;3*1,3-4H2,2H3;/b7-6+;;;;
InChIKeyNWZYCXWIGGHKMN-MNPOOLNOSA-N
XLogP7.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.36
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]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)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane (CID 11307247) is tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane is CCCC[Sn](C/C=C/c1cc(OC)c(C)c(OC)c1OCOC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane?
The InChIKey is NWZYCXWIGGHKMN-MNPOOLNOSA-N. The full InChI is InChI=1S/C14H19O4.3C4H9.Sn/c1-6-7-11-8-12(16-4)10(2)13(17-5)14(11)18-9-15-3;3*1-3-4-2;/h6-8H,1,9H2,2-5H3;3*1,3-4H2,2H3;/b7-6+;;;;.
What are the key properties of tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane?
tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane has a molecular weight of 541.36 g/mol, XLogP of 7.86, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-[3,5-dimethoxy-2-(methoxymethoxy)-4-methylphenyl]prop-2-enyl]stannane is sourced from PubChem (CID 11307247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).