tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane

C21H42O2Sn — CID 23366152

IUPACtributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane
SMILESCCCC[Sn](C#CC(CC)OCCOCC)(CCCC)CCCC
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-4-9(5-2)11-8-7-10-6-3;3*1-3-4-2;/h9H,4,6-8H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyKLINIGUDQSGATI-UHFFFAOYSA-N
MW445.28 g/mol
LogP6.21
Rot. Bonds15

About tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane

tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane (PubChem CID 23366152) has the molecular formula C21H42O2Sn and a molecular weight of 445.28 g/mol. Its IUPAC name is tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane.

Molecular Properties

Compound Nametributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane
PubChem CID23366152
Molecular FormulaC21H42O2Sn
Molecular Weight445.28 g/mol
Exact Mass446.22
IUPAC Nametributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane
SMILESCCCC[Sn](C#CC(CC)OCCOCC)(CCCC)CCCC
InChIInChI=1S/C9H15O2.3C4H9.Sn/c1-4-9(5-2)11-8-7-10-6-3;3*1-3-4-2;/h9H,4,6-8H2,1,3H3;3*1,3-4H2,2H3;
InChIKeyKLINIGUDQSGATI-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane?
The IUPAC name of tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane (CID 23366152) is tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane.
What is the SMILES notation for tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane?
The canonical SMILES for tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane is CCCC[Sn](C#CC(CC)OCCOCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane?
The InChIKey is KLINIGUDQSGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.3C4H9.Sn/c1-4-9(5-2)11-8-7-10-6-3;3*1-3-4-2;/h9H,4,6-8H2,1,3H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane?
tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane has a molecular weight of 445.28 g/mol, XLogP of 6.21, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(2-ethoxyethoxy)pent-1-ynyl]stannane is sourced from PubChem (CID 23366152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).