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

C43H77NO5Si3 — CID 102595265

IUPACbenzyl (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
SMILESCC[Si](C#CC[C@@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]2(C[C@H]1O[Si](CC)(CC)CC)[C@@H](C)C[C@@H](C)CN2C(=O)OCc1ccccc1)(CC)CC
InChIInChI=1S/C43H77NO5Si3/c1-15-51(16-2,17-3)28-24-25-34(7)30-38(48-50(13,14)42(10,11)12)40-39(49-52(18-4,19-5)20-6)31-43(47-40)36(9)29-35(8)32-44(43)41(45)46-33-37-26-22-21-23-27-37/h21-23,26-27,34-36,38-40H,15-20,25,29-33H2,1-14H3/t34-,35-,36+,38-,39-,40-,43+/m1/s1
InChIKeyYAUUBMCJJZKPFT-PDQOFZCVSA-N
MW772.35 g/mol
LogP12.03
Rot. Bonds16

About 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

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 (PubChem CID 102595265) has the molecular formula C43H77NO5Si3 and a molecular weight of 772.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzyl (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
PubChem CID102595265
Molecular FormulaC43H77NO5Si3
Molecular Weight772.35 g/mol
Exact Mass771.51
IUPAC Namebenzyl (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
SMILESCC[Si](C#CC[C@@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]2(C[C@H]1O[Si](CC)(CC)CC)[C@@H](C)C[C@@H](C)CN2C(=O)OCc1ccccc1)(CC)CC
InChIInChI=1S/C43H77NO5Si3/c1-15-51(16-2,17-3)28-24-25-34(7)30-38(48-50(13,14)42(10,11)12)40-39(49-52(18-4,19-5)20-6)31-43(47-40)36(9)29-35(8)32-44(43)41(45)46-33-37-26-22-21-23-27-37/h21-23,26-27,34-36,38-40H,15-20,25,29-33H2,1-14H3/t34-,35-,36+,38-,39-,40-,43+/m1/s1
InChIKeyYAUUBMCJJZKPFT-PDQOFZCVSA-N
XLogP12.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.35
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-trimethylsilylethyl (1R,2R,3'S,4S,5'R,6R,8S,10S)-3',5',10-trimethyl-8-(phenylmethoxymethyl)spiro[3,7,12-trioxatricyclo[6.3.1.02,6]dodecane-4,2'-piperidine]-1'-carboxylate
CID 15940874
benzyl (3aR,4R,6R,7S,7aS)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,2-dimethyl-6-prop-2-enyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 134923928
Tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-(3-phenylmethoxyprop-1-ynyl)piperidine-1-carboxylate
CID 172575146
3-[(R)-3-ethoxypropoxy(phenyl)methyl]-2-(2-trimethylsilylethyl)piperidine-1-carboxylic acid
CID 172721055
tert-butyl (2S,3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(4-phenylmethoxybutyl)pyrrolidine-1-carboxylate
CID 10919046
benzyl (2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,4,5-trihydroxypiperidine-1-carboxylate
CID 11178555
benzyl (2R,3S)-2-[(1S,2S)-4-acetyloxy-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 11181631
benzyl (2R,3S,4R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,4,5-trihydroxypiperidine-1-carboxylate
CID 11190284
tert-butyl (2S,3R,5S,6S,8R)-3-hydroxy-6,8-dimethyl-2-[(1R,3R)-3-methyl-1,5-bis(phenylmethoxy)pentyl]-1-oxa-10-azaspiro[4.5]decane-10-carboxylate
CID 11250192
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
benzyl (2R,3S)-2-[(1R,2R)-4-acetyloxy-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]-3-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 11274047
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[Si](C#CC[C@@H](C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[C@@]2(C[C@H]1O[Si](CC)(CC)CC)[C@@H](C)C[C@@H](C)CN2C(=O)OCc1ccccc1)(CC)CC.
What is the InChIKey of 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?
The InChIKey is YAUUBMCJJZKPFT-PDQOFZCVSA-N. The full InChI is InChI=1S/C43H77NO5Si3/c1-15-51(16-2,17-3)28-24-25-34(7)30-38(48-50(13,14)42(10,11)12)40-39(49-52(18-4,19-5)20-6)31-43(47-40)36(9)29-35(8)32-44(43)41(45)46-33-37-26-22-21-23-27-37/h21-23,26-27,34-36,38-40H,15-20,25,29-33H2,1-14H3/t34-,35-,36+,38-,39-,40-,43+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 772.35 g/mol, XLogP of 12.03, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102595265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).