tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate

C23H48N2O2Sn — CID 135050591

IUPACtert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CN(C(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21N2O2.3C4H9.Sn/c1-9(2)12-6-7-13(8-12)10(14)15-11(3,4)5;3*1-3-4-2;/h7,9H,6,8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyPXXQNSRBXHGUDL-UHFFFAOYSA-N
MW503.36 g/mol
LogP6.66
Rot. Bonds11

About tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate

tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate (PubChem CID 135050591) has the molecular formula C23H48N2O2Sn and a molecular weight of 503.36 g/mol. Its IUPAC name is tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate
PubChem CID135050591
Molecular FormulaC23H48N2O2Sn
Molecular Weight503.36 g/mol
Exact Mass504.27
IUPAC Nametert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CN(C(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21N2O2.3C4H9.Sn/c1-9(2)12-6-7-13(8-12)10(14)15-11(3,4)5;3*1-3-4-2;/h7,9H,6,8H2,1-5H3;3*1,3-4H2,2H3;
InChIKeyPXXQNSRBXHGUDL-UHFFFAOYSA-N
XLogP6.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.36
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate (CID 135050591) is tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate is CCCC[Sn](CCCC)(CCCC)[C@H]1CN(C(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate?
The InChIKey is PXXQNSRBXHGUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2O2.3C4H9.Sn/c1-9(2)12-6-7-13(8-12)10(14)15-11(3,4)5;3*1-3-4-2;/h7,9H,6,8H2,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate?
tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate has a molecular weight of 503.36 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-3-propan-2-yl-5-tributylstannylimidazolidine-1-carboxylate is sourced from PubChem (CID 135050591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).