tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C33H49NO4Si — CID 10962669

IUPACtert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/C[C@@H](C)[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H49NO4Si/c1-11-12-19-25(2)29-28(34(33(9,10)37-29)30(35)38-31(3,4)5)24-36-39(32(6,7)8,26-20-15-13-16-21-26)27-22-17-14-18-23-27/h11-18,20-23,25,28-29H,19,24H2,1-10H3/b12-11+/t25-,28-,29-/m1/s1
InChIKeyBHDNUNWPIHUUSY-MXEJQVKFSA-N
MW551.84 g/mol
LogP6.91
Rot. Bonds8

About tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10962669) has the molecular formula C33H49NO4Si and a molecular weight of 551.84 g/mol. Its IUPAC name is tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10962669
Molecular FormulaC33H49NO4Si
Molecular Weight551.84 g/mol
Exact Mass551.34
IUPAC Nametert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC/C=C/C[C@@H](C)[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H49NO4Si/c1-11-12-19-25(2)29-28(34(33(9,10)37-29)30(35)38-31(3,4)5)24-36-39(32(6,7)8,26-20-15-13-16-21-26)27-22-17-14-18-23-27/h11-18,20-23,25,28-29H,19,24H2,1-10H3/b12-11+/t25-,28-,29-/m1/s1
InChIKeyBHDNUNWPIHUUSY-MXEJQVKFSA-N
XLogP6.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.84
LogP ≤ 56.91
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

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CID 10837991
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CID 11735069
tert-butyl (1R,3S,5R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 10863327
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CID 164780086
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CID 170521985
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CID 172577445
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CID 10885179
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
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Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10962669) is tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C/C=C/C[C@@H](C)[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]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BHDNUNWPIHUUSY-MXEJQVKFSA-N. The full InChI is InChI=1S/C33H49NO4Si/c1-11-12-19-25(2)29-28(34(33(9,10)37-29)30(35)38-31(3,4)5)24-36-39(32(6,7)8,26-20-15-13-16-21-26)27-22-17-14-18-23-27/h11-18,20-23,25,28-29H,19,24H2,1-10H3/b12-11+/t25-,28-,29-/m1/s1.
What are the key properties of tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 551.84 g/mol, XLogP of 6.91, 8 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]-5-[(E,2R)-hex-4-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10962669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).