tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate

C20H41NO3Sn — CID 11259751

IUPACtert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)C1OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C8H14NO3.3C4H9.Sn/c1-8(2,3)12-7(10)9-4-5-11-6-9;3*1-3-4-2;/h6H,4-5H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyIMNGIPXHYRQISL-UHFFFAOYSA-N
MW462.26 g/mol
LogP5.97
Rot. Bonds10

About tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11259751) has the molecular formula C20H41NO3Sn and a molecular weight of 462.26 g/mol. Its IUPAC name is tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
PubChem CID11259751
Molecular FormulaC20H41NO3Sn
Molecular Weight462.26 g/mol
Exact Mass463.21
IUPAC Nametert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)C1OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C8H14NO3.3C4H9.Sn/c1-8(2,3)12-7(10)9-4-5-11-6-9;3*1-3-4-2;/h6H,4-5H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyIMNGIPXHYRQISL-UHFFFAOYSA-N
XLogP5.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.26
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate (CID 11259751) is tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)C1OCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is IMNGIPXHYRQISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO3.3C4H9.Sn/c1-8(2,3)12-7(10)9-4-5-11-6-9;3*1-3-4-2;/h6H,4-5H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 462.26 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11259751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).