tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C31H55NO4Si — CID 11082043

IUPACtert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO4Si/c1-13-19-27(36-37(11,12)30(6,7)8)23-22-25(2)20-17-15-14-16-18-21-26-24-34-31(9,10)32(26)28(33)35-29(3,4)5/h13,15,17-18,20-21,26-27H,1,14,16,19,22-24H2,2-12H3/b17-15+,21-18-,25-20+/t26-,27+/m1/s1
InChIKeyKTKWTWZGIVTOCS-OAYJGPQKSA-N
MW533.87 g/mol
LogP8.94
Rot. Bonds12

About tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11082043) has the molecular formula C31H55NO4Si and a molecular weight of 533.87 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11082043
Molecular FormulaC31H55NO4Si
Molecular Weight533.87 g/mol
Exact Mass533.39
IUPAC Nametert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H55NO4Si/c1-13-19-27(36-37(11,12)30(6,7)8)23-22-25(2)20-17-15-14-16-18-21-26-24-34-31(9,10)32(26)28(33)35-29(3,4)5/h13,15,17-18,20-21,26-27H,1,14,16,19,22-24H2,2-12H3/b17-15+,21-18-,25-20+/t26-,27+/m1/s1
InChIKeyKTKWTWZGIVTOCS-OAYJGPQKSA-N
XLogP8.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.87
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11082043) is tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KTKWTWZGIVTOCS-OAYJGPQKSA-N. The full InChI is InChI=1S/C31H55NO4Si/c1-13-19-27(36-37(11,12)30(6,7)8)23-22-25(2)20-17-15-14-16-18-21-26-24-34-31(9,10)32(26)28(33)35-29(3,4)5/h13,15,17-18,20-21,26-27H,1,14,16,19,22-24H2,2-12H3/b17-15+,21-18-,25-20+/t26-,27+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 533.87 g/mol, XLogP of 8.94, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1Z,5E,7E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11082043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).