tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate

C28H47NO6Si — CID 19708832

IUPACtert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(O)c1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C28H47NO6Si/c1-27(2,3)34-26(31)29-18-22(35-36(7,8)28(4,5)6)17-23(29)25(30)21-14-12-20(13-15-21)19-33-24-11-9-10-16-32-24/h12-15,22-25,30H,9-11,16-19H2,1-8H3
InChIKeyCTQQYDDOGQDMPK-UHFFFAOYSA-N
MW521.77 g/mol
LogP6.16
Rot. Bonds7

About tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate

tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate (PubChem CID 19708832) has the molecular formula C28H47NO6Si and a molecular weight of 521.77 g/mol. Its IUPAC name is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
PubChem CID19708832
Molecular FormulaC28H47NO6Si
Molecular Weight521.77 g/mol
Exact Mass521.32
IUPAC Nametert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(O)c1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C28H47NO6Si/c1-27(2,3)34-26(31)29-18-22(35-36(7,8)28(4,5)6)17-23(29)25(30)21-14-12-20(13-15-21)19-33-24-11-9-10-16-32-24/h12-15,22-25,30H,9-11,16-19H2,1-8H3
InChIKeyCTQQYDDOGQDMPK-UHFFFAOYSA-N
XLogP6.16
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.77
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl (2S,4R)-2-[1-azido-3-(oxan-2-yloxy)propan-2-yl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 10576854
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-hydroxy-2-[(4-nitrophenyl)methoxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
CID 10768778
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1,3-dihydroxypropyl]pyrrolidine-1-carboxylate
CID 67885392
tert-butyl (2S,4R)-2-[(1S)-3-amino-1-hydroxypropyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 10690844
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-cyano-1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 70276625
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10862338
tert-butyl (2S,4S)-2-(difluoromethyl)-4-(oxan-2-yloxy)pyrrolidine-1-carboxylate
CID 58303414
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10669664
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[4-(hydroxymethyl)-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate
CID 57323164
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[methylsulfanylcarbothioyloxy(phenyl)methyl]pyrrolidine-1-carboxylate
CID 22881083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate (CID 19708832) is tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(O)c1ccc(COC2CCCCO2)cc1.
What is the InChIKey of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is CTQQYDDOGQDMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47NO6Si/c1-27(2,3)34-26(31)29-18-22(35-36(7,8)28(4,5)6)17-23(29)25(30)21-14-12-20(13-15-21)19-33-24-11-9-10-16-32-24/h12-15,22-25,30H,9-11,16-19H2,1-8H3.
What are the key properties of tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate?
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 521.77 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[hydroxy-[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 19708832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).