tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate

C51H63NO4SiSn — CID 11768155

IUPACtert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@@H](/C=C(/C[C@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H48NO4Si.3C6H5.Sn/c1-26(17-15-23-33(8,36)29-22-16-24-34(29)30(35)38-31(2,3)4)25-37-39(32(5,6)7,27-18-11-9-12-19-27)28-20-13-10-14-21-28;3*1-2-4-6-5-3-1;/h9-14,17-21,26,29,36H,16,22-25H2,1-8H3;3*1-5H;/t26-,29-,33-;;;;/m0..../s1
InChIKeyRHHPRPPUYKEUGT-PMAICRCOSA-N
MW900.87 g/mol
LogP8.38
Rot. Bonds13

About tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate (PubChem CID 11768155) has the molecular formula C51H63NO4SiSn and a molecular weight of 900.87 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate
PubChem CID11768155
Molecular FormulaC51H63NO4SiSn
Molecular Weight900.87 g/mol
Exact Mass901.35
IUPAC Nametert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@@H](/C=C(/C[C@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H48NO4Si.3C6H5.Sn/c1-26(17-15-23-33(8,36)29-22-16-24-34(29)30(35)38-31(2,3)4)25-37-39(32(5,6)7,27-18-11-9-12-19-27)28-20-13-10-14-21-28;3*1-2-4-6-5-3-1;/h9-14,17-21,26,29,36H,16,22-25H2,1-8H3;3*1-5H;/t26-,29-,33-;;;;/m0..../s1
InChIKeyRHHPRPPUYKEUGT-PMAICRCOSA-N
XLogP8.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.87
LogP ≤ 58.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate (CID 11768155) is tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate is C[C@@H](/C=C(/C[C@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is RHHPRPPUYKEUGT-PMAICRCOSA-N. The full InChI is InChI=1S/C33H48NO4Si.3C6H5.Sn/c1-26(17-15-23-33(8,36)29-22-16-24-34(29)30(35)38-31(2,3)4)25-37-39(32(5,6)7,27-18-11-9-12-19-27)28-20-13-10-14-21-28;3*1-2-4-6-5-3-1;/h9-14,17-21,26,29,36H,16,22-25H2,1-8H3;3*1-5H;/t26-,29-,33-;;;;/m0..../s1.
What are the key properties of tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 900.87 g/mol, XLogP of 8.38, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-6-methyl-4-triphenylstannylhept-4-en-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11768155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).