tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C26H53NO7Si2 — CID 134833625

IUPACtert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H53NO7Si2/c1-23(2,3)32-22(29)27-18(17-31-26(27,10)11)19(33-35(13,14)24(4,5)6)20(21(28)30-12)34-36(15,16)25(7,8)9/h18-20H,17H2,1-16H3/t18-,19-,20-/m0/s1
InChIKeyAGQXPXJCPFZGNC-UFYCRDLUSA-N
MW547.88 g/mol
LogP6.31
Rot. Bonds7

About tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134833625) has the molecular formula C26H53NO7Si2 and a molecular weight of 547.88 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134833625
Molecular FormulaC26H53NO7Si2
Molecular Weight547.88 g/mol
Exact Mass547.34
IUPAC Nametert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C26H53NO7Si2/c1-23(2,3)32-22(29)27-18(17-31-26(27,10)11)19(33-35(13,14)24(4,5)6)20(21(28)30-12)34-36(15,16)25(7,8)9/h18-20H,17H2,1-16H3/t18-,19-,20-/m0/s1
InChIKeyAGQXPXJCPFZGNC-UFYCRDLUSA-N
XLogP6.31
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.88
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134833625) is tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is AGQXPXJCPFZGNC-UFYCRDLUSA-N. The full InChI is InChI=1S/C26H53NO7Si2/c1-23(2,3)32-22(29)27-18(17-31-26(27,10)11)19(33-35(13,14)24(4,5)6)20(21(28)30-12)34-36(15,16)25(7,8)9/h18-20H,17H2,1-16H3/t18-,19-,20-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 547.88 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134833625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).