tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C28H57NO5Si2 — CID 134835360

IUPACtert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO5Si2/c1-17-18-21(33-35(13,14)26(5,6)7)19-23(34-36(15,16)27(8,9)10)22-20-31-28(11,12)29(22)24(30)32-25(2,3)4/h17,21-23H,1,18-20H2,2-16H3/t21-,22+,23+/m1/s1
InChIKeyYETQFDHIYVJSHO-VJBWXMMDSA-N
MW543.94 g/mol
LogP8.11
Rot. Bonds9

About tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134835360) has the molecular formula C28H57NO5Si2 and a molecular weight of 543.94 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134835360
Molecular FormulaC28H57NO5Si2
Molecular Weight543.94 g/mol
Exact Mass543.38
IUPAC Nametert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H57NO5Si2/c1-17-18-21(33-35(13,14)26(5,6)7)19-23(34-36(15,16)27(8,9)10)22-20-31-28(11,12)29(22)24(30)32-25(2,3)4/h17,21-23H,1,18-20H2,2-16H3/t21-,22+,23+/m1/s1
InChIKeyYETQFDHIYVJSHO-VJBWXMMDSA-N
XLogP8.11
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.94
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134835360) is tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YETQFDHIYVJSHO-VJBWXMMDSA-N. The full InChI is InChI=1S/C28H57NO5Si2/c1-17-18-21(33-35(13,14)26(5,6)7)19-23(34-36(15,16)27(8,9)10)22-20-31-28(11,12)29(22)24(30)32-25(2,3)4/h17,21-23H,1,18-20H2,2-16H3/t21-,22+,23+/m1/s1.
What are the key properties of tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 543.94 g/mol, XLogP of 8.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1S,3R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134835360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).