tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate

C20H37NO7Si — CID 11729703

IUPACtert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37NO7Si/c1-18(2,3)28-17(23)21-13(11-24-16(21)22)15-14(26-20(7,8)27-15)12-25-29(9,10)19(4,5)6/h13-15H,11-12H2,1-10H3/t13-,14+,15+/m1/s1
InChIKeyRJLDNRTWDRDIAU-ILXRZTDVSA-N
MW431.60 g/mol
LogP4.28
Rot. Bonds4

About tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11729703) has the molecular formula C20H37NO7Si and a molecular weight of 431.60 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID11729703
Molecular FormulaC20H37NO7Si
Molecular Weight431.60 g/mol
Exact Mass431.23
IUPAC Nametert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37NO7Si/c1-18(2,3)28-17(23)21-13(11-24-16(21)22)15-14(26-20(7,8)27-15)12-25-29(9,10)19(4,5)6/h13-15H,11-12H2,1-10H3/t13-,14+,15+/m1/s1
InChIKeyRJLDNRTWDRDIAU-ILXRZTDVSA-N
XLogP4.28
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (3aS,5R,6R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-formyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate
CID 10598808
tert-butyl (5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
CID 10872778
tert-butyl (3'aR,4S,7'S)-7'-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-2'-oxospiro[1,3-dioxolane-4,6'-3a,4,7,7a-tetrahydropyrano[3,4-d][1,3]oxazole]-3'-carboxylate
CID 58766059
tert-butyl (3aS,5S,6R,6aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-formyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-b]pyrrole-4-carboxylate
CID 10694007
tert-butyl N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-(carbamoyloxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 11015797
tert-butyl (3aR,4R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 11079610
tert-butyl (2R,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine-1-carboxylate
CID 21602005
tert-butyl (3aS,6S,6aS)-4-acetyloxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 53392638
tert-butyl (4S)-4-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 56963827
tert-butyl (4S)-4-[(1S,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1,2,3-tris(ethoxymethoxy)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57385688
tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate
CID 177443370

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate (CID 11729703) is tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is RJLDNRTWDRDIAU-ILXRZTDVSA-N. The full InChI is InChI=1S/C20H37NO7Si/c1-18(2,3)28-17(23)21-13(11-24-16(21)22)15-14(26-20(7,8)27-15)12-25-29(9,10)19(4,5)6/h13-15H,11-12H2,1-10H3/t13-,14+,15+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 431.60 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11729703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).