tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate

C36H59NO6Si — CID 11250639

IUPACtert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
SMILESC#CC[C@H](C)C[C@H](OCc1ccc(OC)cc1)[C@@H]1O[C@]2(C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C36H59NO6Si/c1-14-15-25(2)21-30(40-24-28-16-18-29(39-11)19-17-28)32-31(43-44(12,13)35(8,9)10)22-36(41-32)27(4)20-26(3)23-37(36)33(38)42-34(5,6)7/h1,16-19,25-27,30-32H,15,20-24H2,2-13H3/t25-,26-,27+,30-,31-,32-,36+/m0/s1
InChIKeyFQRNUYWYIZECDF-OXKBKDPQSA-N
MW629.96 g/mol
LogP8.42
Rot. Bonds10

About tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate

tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate (PubChem CID 11250639) has the molecular formula C36H59NO6Si and a molecular weight of 629.96 g/mol. Its IUPAC name is tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
PubChem CID11250639
Molecular FormulaC36H59NO6Si
Molecular Weight629.96 g/mol
Exact Mass629.41
IUPAC Nametert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
SMILESC#CC[C@H](C)C[C@H](OCc1ccc(OC)cc1)[C@@H]1O[C@]2(C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C36H59NO6Si/c1-14-15-25(2)21-30(40-24-28-16-18-29(39-11)19-17-28)32-31(43-44(12,13)35(8,9)10)22-36(41-32)27(4)20-26(3)23-37(36)33(38)42-34(5,6)7/h1,16-19,25-27,30-32H,15,20-24H2,2-13H3/t25-,26-,27+,30-,31-,32-,36+/m0/s1
InChIKeyFQRNUYWYIZECDF-OXKBKDPQSA-N
XLogP8.42
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.96
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate with MolForge

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Related Compounds

[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] (3R)-3-hexyl-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 155108148
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-1-carboxylate
CID 177971041
benzyl (2R,3R,5S,6S,8R)-2-[(1R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methyl-6-triethylsilylhex-5-ynyl]-6,8-dimethyl-3-triethylsilyloxy-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
CID 102595265
tert-butyl (2S)-2-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 162415968
Tert-butyl 2-(4-methoxyphenyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 176434737
tert-butyl (2S,3S,5R,6R,8S)-3-benzoyloxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
CID 11238973
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-methoxyethyl)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 11477154
benzyl (2R,3R,5S,6S,8R)-2-[(1R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodo-3-methylhex-5-ynyl]-6,8-dimethyl-3-triethylsilyloxy-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
CID 11505991
[(1R,2R,3'S,4S,5'R,6R,8S,10S)-8-[(3S,4S)-3-[(4-methoxyphenyl)methoxy]-4-methyl-2-methylidenehex-5-ynyl]-3',5',10-trimethylspiro[3,7,12-trioxatricyclo[6.3.1.02,6]dodecane-4,2'-piperidine]-1'-yl] 2-trimethylsilylethyl carbonate
CID 132560186

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate?
The IUPAC name of tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate (CID 11250639) is tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate?
The canonical SMILES for tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate is C#CC[C@H](C)C[C@H](OCc1ccc(OC)cc1)[C@@H]1O[C@]2(C[C@@H]1O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@H](C)CN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate?
The InChIKey is FQRNUYWYIZECDF-OXKBKDPQSA-N. The full InChI is InChI=1S/C36H59NO6Si/c1-14-15-25(2)21-30(40-24-28-16-18-29(39-11)19-17-28)32-31(43-44(12,13)35(8,9)10)22-36(41-32)27(4)20-26(3)23-37(36)33(38)42-34(5,6)7/h1,16-19,25-27,30-32H,15,20-24H2,2-13H3/t25-,26-,27+,30-,31-,32-,36+/m0/s1.
What are the key properties of tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate?
tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate has a molecular weight of 629.96 g/mol, XLogP of 8.42, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S,5R,6R,8S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S,3S)-1-[(4-methoxyphenyl)methoxy]-3-methylhex-5-ynyl]-6,8-dimethyl-1-oxa-10-azaspiro[4.5]decane-10-carboxylate is sourced from PubChem (CID 11250639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).