tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

C41H79NO4SiSn — CID 25179551

IUPACtert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](/C=C/C=C(C)/C=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)(CCCC)CCCC
InChIInChI=1S/C29H52NO4Si.3C4H9.Sn/c1-16-17-20(2)18-19-21(3)24(34-35(14,15)28(9,10)11)22(4)25-23(5)30(29(12,13)32-25)26(31)33-27(6,7)8;3*1-3-4-2;/h1,16-19,21-25H,2-15H3;3*1,3-4H2,2H3;/b16-1?,19-18+,20-17+;;;;/t21-,22+,23-,24-,25+;;;;/m1..../s1
InChIKeyNINSDCXFHKIQNY-WVBITDEESA-N
MW796.88 g/mol
LogP12.86
Rot. Bonds18

About tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 25179551) has the molecular formula C41H79NO4SiSn and a molecular weight of 796.88 g/mol. Its IUPAC name is tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID25179551
Molecular FormulaC41H79NO4SiSn
Molecular Weight796.88 g/mol
Exact Mass797.48
IUPAC Nametert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCCC[Sn](/C=C/C=C(C)/C=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)(CCCC)CCCC
InChIInChI=1S/C29H52NO4Si.3C4H9.Sn/c1-16-17-20(2)18-19-21(3)24(34-35(14,15)28(9,10)11)22(4)25-23(5)30(29(12,13)32-25)26(31)33-27(6,7)8;3*1-3-4-2;/h1,16-19,21-25H,2-15H3;3*1,3-4H2,2H3;/b16-1?,19-18+,20-17+;;;;/t21-,22+,23-,24-,25+;;;;/m1..../s1
InChIKeyNINSDCXFHKIQNY-WVBITDEESA-N
XLogP12.86
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.88
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate (CID 25179551) is tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is CCCC[Sn](/C=C/C=C(C)/C=C/[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C)(CCCC)CCCC.
What is the InChIKey of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NINSDCXFHKIQNY-WVBITDEESA-N. The full InChI is InChI=1S/C29H52NO4Si.3C4H9.Sn/c1-16-17-20(2)18-19-21(3)24(34-35(14,15)28(9,10)11)22(4)25-23(5)30(29(12,13)32-25)26(31)33-27(6,7)8;3*1-3-4-2;/h1,16-19,21-25H,2-15H3;3*1,3-4H2,2H3;/b16-1?,19-18+,20-17+;;;;/t21-,22+,23-,24-,25+;;;;/m1..../s1.
What are the key properties of tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 796.88 g/mol, XLogP of 12.86, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-5-[(2R,3R,4R,5E,7E,9E)-3-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyl-10-tributylstannyldeca-5,7,9-trien-2-yl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 25179551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).