tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane

C18H36O2Sn — CID 23366180

IUPACtributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane
SMILESCCCC[Sn](C#CCOCCOC)(CCCC)CCCC
InChIInChI=1S/C6H9O2.3C4H9.Sn/c1-3-4-8-6-5-7-2;3*1-3-4-2;/h4-6H2,2H3;3*1,3-4H2,2H3;
InChIKeyPJWIYEOYKOFUSD-UHFFFAOYSA-N
MW403.20 g/mol
LogP5.04
Rot. Bonds13

About tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane

tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane (PubChem CID 23366180) has the molecular formula C18H36O2Sn and a molecular weight of 403.20 g/mol. Its IUPAC name is tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane.

Molecular Properties

Compound Nametributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane
PubChem CID23366180
Molecular FormulaC18H36O2Sn
Molecular Weight403.20 g/mol
Exact Mass404.17
IUPAC Nametributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane
SMILESCCCC[Sn](C#CCOCCOC)(CCCC)CCCC
InChIInChI=1S/C6H9O2.3C4H9.Sn/c1-3-4-8-6-5-7-2;3*1-3-4-2;/h4-6H2,2H3;3*1,3-4H2,2H3;
InChIKeyPJWIYEOYKOFUSD-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.20
LogP ≤ 55.04
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-methoxyethoxy)prop-1-ynyl]stannane?
The IUPAC name of tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane (CID 23366180) is tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane.
What is the SMILES notation for tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane?
The canonical SMILES for tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane is CCCC[Sn](C#CCOCCOC)(CCCC)CCCC.
What is the InChIKey of tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane?
The InChIKey is PJWIYEOYKOFUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O2.3C4H9.Sn/c1-3-4-8-6-5-7-2;3*1-3-4-2;/h4-6H2,2H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane?
tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane has a molecular weight of 403.20 g/mol, XLogP of 5.04, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-(2-methoxyethoxy)prop-1-ynyl]stannane is sourced from PubChem (CID 23366180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).