tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate

C32H47NO3Si — CID 134956480

IUPACtert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate
SMILESC=C[C@H]([C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C32H47NO3Si/c1-9-28(29-21-16-23-33(29)30(34)36-31(3,4)5)25(2)22-24-35-37(32(6,7)8,26-17-12-10-13-18-26)27-19-14-11-15-20-27/h9-15,17-20,25,28-29H,1,16,21-24H2,2-8H3/t25-,28-,29+/m1/s1
InChIKeyPLOMPCIGESJOQH-ZJGIAAPESA-N
MW521.82 g/mol
LogP6.79
Rot. Bonds9

About tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate (PubChem CID 134956480) has the molecular formula C32H47NO3Si and a molecular weight of 521.82 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate
PubChem CID134956480
Molecular FormulaC32H47NO3Si
Molecular Weight521.82 g/mol
Exact Mass521.33
IUPAC Nametert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate
SMILESC=C[C@H]([C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C32H47NO3Si/c1-9-28(29-21-16-23-33(29)30(34)36-31(3,4)5)25(2)22-24-35-37(32(6,7)8,26-17-12-10-13-18-26)27-19-14-11-15-20-27/h9-15,17-20,25,28-29H,1,16,21-24H2,2-8H3/t25-,28-,29+/m1/s1
InChIKeyPLOMPCIGESJOQH-ZJGIAAPESA-N
XLogP6.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.82
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145971565
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CID 145973411
tert-butyl (2S)-2-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidine-1-carboxylate
CID 145973547
tert-butyl (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-iodo-6-methylhept-4-en-2-yl]pyrrolidine-1-carboxylate
CID 11735069
tert-butyl (1R,3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10863327
2-Methyl-3-(r)-((tert-butyldimethylsilyloxy)methyl)-4-(s)-(3-fluorophenyl)-1-tert-butoxycarbonylpyrrolidine
CID 20664067
Tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(3-fluorophenyl)-2-methylpyrrolidine-1-carboxylate
CID 21193120
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
tert-butyl (2S,3S,5R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-nonylpyrrolidine-1-carboxylate
CID 10885794
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
tert-butyl (2S,3S)-5-methoxy-2-(2-methylprop-2-enyl)-3-[(2S)-2-phenylpropyl]pyrrolidine-1-carboxylate
CID 134848206
tert-butyl (2S,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(4-octylphenyl)-5-prop-1-enylpyrrolidine-1-carboxylate
CID 134853097

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate (CID 134956480) is tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate is C=C[C@H]([C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate?
The InChIKey is PLOMPCIGESJOQH-ZJGIAAPESA-N. The full InChI is InChI=1S/C32H47NO3Si/c1-9-28(29-21-16-23-33(29)30(34)36-31(3,4)5)25(2)22-24-35-37(32(6,7)8,26-17-12-10-13-18-26)27-19-14-11-15-20-27/h9-15,17-20,25,28-29H,1,16,21-24H2,2-8H3/t25-,28-,29+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate has a molecular weight of 521.82 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 134956480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).