methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate

C29H41NO3Si — CID 57409149

IUPACmethyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C/C(C)=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO3Si/c1-24(23-30-21-14-20-27(30)28(31)32-5)15-12-13-22-33-34(29(2,3)4,25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-11,15-19,27H,12-14,20-23H2,1-5H3/b24-15+/t27-/m0/s1
InChIKeyAICFGMRAWUMKTR-LMVGNEGFSA-N
MW479.74 g/mol
LogP4.93
Rot. Bonds10

About methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate (PubChem CID 57409149) has the molecular formula C29H41NO3Si and a molecular weight of 479.74 g/mol. Its IUPAC name is methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate
PubChem CID57409149
Molecular FormulaC29H41NO3Si
Molecular Weight479.74 g/mol
Exact Mass479.29
IUPAC Namemethyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C/C(C)=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H41NO3Si/c1-24(23-30-21-14-20-27(30)28(31)32-5)15-12-13-22-33-34(29(2,3)4,25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-11,15-19,27H,12-14,20-23H2,1-5H3/b24-15+/t27-/m0/s1
InChIKeyAICFGMRAWUMKTR-LMVGNEGFSA-N
XLogP4.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.74
LogP ≤ 54.93
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'}

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Related Compounds

methyl (2S)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylate
CID 9819100
methyl (2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 15863910
Ioavdofchuvinq-wevvvxlnsa-
CID 21669730
Methyl 1-(tert-butyl-phenyl-phosphinomethyl)-pyrrolidine-2-carboxylate
CID 546275
methyl (2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-2-carboxylate
CID 5461835
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 15483164
methyl (2S,3S)-1-benzyl-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-2-carboxylate
CID 57385728
[(E)-6-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-5-methylhex-4-enoxy]-tert-butyl-diphenylsilane
CID 101584158
1-(tert-Butyl) 2-methyl (2S,4R)-4-((tert-butyldiphenylsilyl)oxy)pyrrolidine-1,2-dicarboxylate
CID 11340673
methyl (2R)-1-(4,4-diphenylbut-3-enyl)pyrrolidine-2-carboxylate
CID 11566205
Boc-D-aMeaHyp(TBDPS)-OMe
CID 15863905
Boc-aMeHyp(TBDPS)-OMe
CID 15863906

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate (CID 57409149) is methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C/C(C)=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate?
The InChIKey is AICFGMRAWUMKTR-LMVGNEGFSA-N. The full InChI is InChI=1S/C29H41NO3Si/c1-24(23-30-21-14-20-27(30)28(31)32-5)15-12-13-22-33-34(29(2,3)4,25-16-8-6-9-17-25)26-18-10-7-11-19-26/h6-11,15-19,27H,12-14,20-23H2,1-5H3/b24-15+/t27-/m0/s1.
What are the key properties of methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate has a molecular weight of 479.74 g/mol, XLogP of 4.93, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylhex-2-enyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 57409149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).