methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate

C17H35NO3Sn — CID 11166048

IUPACmethyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)C1OCCN1C(=O)OC
InChIInChI=1S/C5H8NO3.3C4H9.Sn/c1-8-5(7)6-2-3-9-4-6;3*1-3-4-2;/h4H,2-3H2,1H3;3*1,3-4H2,2H3;
InChIKeyKOAOMFNCRYIMPW-UHFFFAOYSA-N
MW420.18 g/mol
LogP4.80
Rot. Bonds10

About methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate

methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11166048) has the molecular formula C17H35NO3Sn and a molecular weight of 420.18 g/mol. Its IUPAC name is methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
PubChem CID11166048
Molecular FormulaC17H35NO3Sn
Molecular Weight420.18 g/mol
Exact Mass421.16
IUPAC Namemethyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)C1OCCN1C(=O)OC
InChIInChI=1S/C5H8NO3.3C4H9.Sn/c1-8-5(7)6-2-3-9-4-6;3*1-3-4-2;/h4H,2-3H2,1H3;3*1,3-4H2,2H3;
InChIKeyKOAOMFNCRYIMPW-UHFFFAOYSA-N
XLogP4.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.18
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate (CID 11166048) is methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](CCCC)(CCCC)C1OCCN1C(=O)OC.
What is the InChIKey of methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KOAOMFNCRYIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO3.3C4H9.Sn/c1-8-5(7)6-2-3-9-4-6;3*1-3-4-2;/h4H,2-3H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate?
methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 420.18 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tributylstannyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11166048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).