tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C32H47NO5Si — CID 101480548

IUPACtert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C(=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C32H47NO5Si/c1-24(28(34)27-23-36-32(8,9)33(27)29(35)38-30(2,3)4)17-16-22-37-39(31(5,6)7,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h10-15,17-21,27-28,34H,16,22-23H2,1-9H3/b24-17-/t27-,28-/m0/s1
InChIKeyDFDVRIJKKQYTGD-YROODXBUSA-N
MW553.82 g/mol
LogP5.63
Rot. Bonds8

About tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 101480548) has the molecular formula C32H47NO5Si and a molecular weight of 553.82 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID101480548
Molecular FormulaC32H47NO5Si
Molecular Weight553.82 g/mol
Exact Mass553.32
IUPAC Nametert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C(=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C32H47NO5Si/c1-24(28(34)27-23-36-32(8,9)33(27)29(35)38-30(2,3)4)17-16-22-37-39(31(5,6)7,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h10-15,17-21,27-28,34H,16,22-23H2,1-9H3/b24-17-/t27-,28-/m0/s1
InChIKeyDFDVRIJKKQYTGD-YROODXBUSA-N
XLogP5.63
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.82
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 25178002
tert-butyl N-[(3R,4S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450325
tert-butyl N-[(3R,4S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450326
tert-butyl N-[(3S,4S)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxyocta-1,7-dien-4-yl]carbamate
CID 102450327
tert-butyl N-[(1S,2R,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 102450328
tert-butyl N-[(1S,2R,6S)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 102450332
tert-butyl N-[(1S,2S,6R)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 102450335
tert-butyl N-[(1S,2S,6S)-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxycyclohex-3-en-1-yl]carbamate
CID 102450336
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840091
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840127
tert-butyl (4S)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146169719

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 101480548) is tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C/C(=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DFDVRIJKKQYTGD-YROODXBUSA-N. The full InChI is InChI=1S/C32H47NO5Si/c1-24(28(34)27-23-36-32(8,9)33(27)29(35)38-30(2,3)4)17-16-22-37-39(31(5,6)7,25-18-12-10-13-19-25)26-20-14-11-15-21-26/h10-15,17-21,27-28,34H,16,22-23H2,1-9H3/b24-17-/t27-,28-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 553.82 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(Z,1S)-5-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methylpent-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101480548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).