tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

C25H47NO3Sn — CID 67483609

IUPACtert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1
InChIInChI=1S/C13H20NO3.3C4H9.Sn/c1-12(2,3)17-11(15)14-8-6-13(7-9-14)5-4-10-16-13;3*1-3-4-2;/h5H,6-10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyAHYGDCVHNJMMGG-UHFFFAOYSA-N
MW528.37 g/mol
LogP7.10
Rot. Bonds10

About tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate

tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 67483609) has the molecular formula C25H47NO3Sn and a molecular weight of 528.37 g/mol. Its IUPAC name is tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID67483609
Molecular FormulaC25H47NO3Sn
Molecular Weight528.37 g/mol
Exact Mass529.26
IUPAC Nametert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1
InChIInChI=1S/C13H20NO3.3C4H9.Sn/c1-12(2,3)17-11(15)14-8-6-13(7-9-14)5-4-10-16-13;3*1-3-4-2;/h5H,6-10H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyAHYGDCVHNJMMGG-UHFFFAOYSA-N
XLogP7.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.37
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate (CID 67483609) is tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is CCCC[Sn](CCCC)(CCCC)C1=CC2(CCN(C(=O)OC(C)(C)C)CC2)OC1.
What is the InChIKey of tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is AHYGDCVHNJMMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20NO3.3C4H9.Sn/c1-12(2,3)17-11(15)14-8-6-13(7-9-14)5-4-10-16-13;3*1-3-4-2;/h5H,6-10H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 528.37 g/mol, XLogP of 7.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 67483609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).