tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C41H59NO6Si — CID 12003658

IUPACtert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1CC(=C)C[C@H](C[C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)O2)O1
InChIInChI=1S/C41H59NO6Si/c1-11-18-30-23-29(2)24-31(45-30)25-32-26-33(27-37(46-32)36-28-44-41(9,10)42(36)38(43)47-39(3,4)5)48-49(40(6,7)8,34-19-14-12-15-20-34)35-21-16-13-17-22-35/h11-17,19-22,30-33,36-37H,1-2,18,23-28H2,3-10H3/t30-,31+,32+,33+,36+,37+/m0/s1
InChIKeyZMJCYFLPHBHWMI-UVJUMCFDSA-N
MW690.01 g/mol
LogP7.92
Rot. Bonds9

About tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 12003658) has the molecular formula C41H59NO6Si and a molecular weight of 690.01 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID12003658
Molecular FormulaC41H59NO6Si
Molecular Weight690.01 g/mol
Exact Mass689.41
IUPAC Nametert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1CC(=C)C[C@H](C[C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)O2)O1
InChIInChI=1S/C41H59NO6Si/c1-11-18-30-23-29(2)24-31(45-30)25-32-26-33(27-37(46-32)36-28-44-41(9,10)42(36)38(43)47-39(3,4)5)48-49(40(6,7)8,34-19-14-12-15-20-34)35-21-16-13-17-22-35/h11-17,19-22,30-33,36-37H,1-2,18,23-28H2,3-10H3/t30-,31+,32+,33+,36+,37+/m0/s1
InChIKeyZMJCYFLPHBHWMI-UVJUMCFDSA-N
XLogP7.92
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.01
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-4-[(R)-[dimethyl(phenyl)silyl]-[(2S,3R)-3-tridecyloxiran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134866144
tert-butyl (4S)-4-[(R)-[dimethyl(phenyl)silyl]-[(2R,3S)-3-tridecyloxiran-2-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134866335
tert-butyl 4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59866630
tert-butyl (2R,3R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-hydroxypyrrolidine-1-carboxylate
CID 91611041
tert-butyl 4-[(E,1S)-1-[tert-butyl(diphenyl)silyl]oxyhexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 140533043
tert-butyl (4R)-4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 176199681
tert-butyl (2R,4R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]-4-propan-2-yloxypyrrolidine-1-carboxylate
CID 176760431
tert-butyl (4R,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 10962271
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
Tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 11092252
tert-butyl (4S)-4-[(S)-[tert-butyl(diphenyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11180332
tert-butyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(oxiran-2-ylmethyl)piperidine-1-carboxylate
CID 11454758

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 12003658) is tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C=CC[C@H]1CC(=C)C[C@H](C[C@@H]2C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)O2)O1.
What is the InChIKey of tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZMJCYFLPHBHWMI-UVJUMCFDSA-N. The full InChI is InChI=1S/C41H59NO6Si/c1-11-18-30-23-29(2)24-31(45-30)25-32-26-33(27-37(46-32)36-28-44-41(9,10)42(36)38(43)47-39(3,4)5)48-49(40(6,7)8,34-19-14-12-15-20-34)35-21-16-13-17-22-35/h11-17,19-22,30-33,36-37H,1-2,18,23-28H2,3-10H3/t30-,31+,32+,33+,36+,37+/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 690.01 g/mol, XLogP of 7.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2R,4R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-[[(2R,6S)-4-methylidene-6-prop-2-enyloxan-2-yl]methyl]oxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 12003658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).