tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C30H43NO4Si — CID 10962271

IUPACtert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-10-17-26-25(31(30(8,9)34-26)27(32)35-28(2,3)4)22-33-36(29(5,6)7,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h10-16,18-21,25-26H,1,17,22H2,2-9H3/t25-,26-/m1/s1
InChIKeyYVXTVDDAQCKVKC-CLJLJLNGSA-N
MW509.76 g/mol
LogP5.88
Rot. Bonds7

About tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10962271) has the molecular formula C30H43NO4Si and a molecular weight of 509.76 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID10962271
Molecular FormulaC30H43NO4Si
Molecular Weight509.76 g/mol
Exact Mass509.30
IUPAC Nametert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43NO4Si/c1-10-17-26-25(31(30(8,9)34-26)27(32)35-28(2,3)4)22-33-36(29(5,6)7,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h10-16,18-21,25-26H,1,17,22H2,2-9H3/t25-,26-/m1/s1
InChIKeyYVXTVDDAQCKVKC-CLJLJLNGSA-N
XLogP5.88
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.76
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2R,4R)-4-((tert-butyldiphenylsilyl)oxy)-2-ethynylpyrrolidine-1-carboxylate
CID 91299586
(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (4R)-4-[(E)-2-[tert-butyl(diphenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10742825
tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11132182
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethyl)pyrrolidine-1-carboxylate
CID 164780086
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(difluoromethoxymethyl)pyrrolidine-1-carboxylate
CID 170521985
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethyl)pyrrolidine-1-carboxylate
CID 172577445

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 10962271) is tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YVXTVDDAQCKVKC-CLJLJLNGSA-N. The full InChI is InChI=1S/C30H43NO4Si/c1-10-17-26-25(31(30(8,9)34-26)27(32)35-28(2,3)4)22-33-36(29(5,6)7,23-18-13-11-14-19-23)24-20-15-12-16-21-24/h10-16,18-21,25-26H,1,17,22H2,2-9H3/t25-,26-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 509.76 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10962271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).