tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane

C21H44O2Sn — CID 11730012

IUPACtributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)CC(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-5-10-9(11-6-2)7-8(3)4;3*1-3-4-2;/h3,9H,5-7H2,1-2,4H3;3*1,3-4H2,2H3;
InChIKeyTYGOVDUTMYWKBZ-UHFFFAOYSA-N
MW447.29 g/mol
LogP7.11
Rot. Bonds16

About tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane

tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane (PubChem CID 11730012) has the molecular formula C21H44O2Sn and a molecular weight of 447.29 g/mol. Its IUPAC name is tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane
PubChem CID11730012
Molecular FormulaC21H44O2Sn
Molecular Weight447.29 g/mol
Exact Mass448.24
IUPAC Nametributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane
SMILESCCCC[Sn](/C=C(\C)CC(OCC)OCC)(CCCC)CCCC
InChIInChI=1S/C9H17O2.3C4H9.Sn/c1-5-10-9(11-6-2)7-8(3)4;3*1-3-4-2;/h3,9H,5-7H2,1-2,4H3;3*1,3-4H2,2H3;
InChIKeyTYGOVDUTMYWKBZ-UHFFFAOYSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.29
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane?
The IUPAC name of tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane (CID 11730012) is tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane?
The canonical SMILES for tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane is CCCC[Sn](/C=C(\C)CC(OCC)OCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane?
The InChIKey is TYGOVDUTMYWKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O2.3C4H9.Sn/c1-5-10-9(11-6-2)7-8(3)4;3*1-3-4-2;/h3,9H,5-7H2,1-2,4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane?
tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane has a molecular weight of 447.29 g/mol, XLogP of 7.11, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-4,4-diethoxy-2-methylbut-1-enyl]stannane is sourced from PubChem (CID 11730012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).