(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C14H27NO2Si — CID 11747627

IUPAC(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)N2CCC[C@@H]12
InChIInChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-8-9-13(16)15-10-6-7-11(12)15/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyZHURZAAEJHLODG-NWDGAFQWSA-N
MW269.46 g/mol
LogP3.16
Rot. Bonds2

About (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 11747627) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID11747627
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Name(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)N2CCC[C@@H]12
InChIInChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-8-9-13(16)15-10-6-7-11(12)15/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyZHURZAAEJHLODG-NWDGAFQWSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-3-(iodomethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 11037268
(3R,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-3-(iodomethyl)-8a-methyl-1,2,3,6,7,8-hexahydroindolizin-5-one
CID 15550286
(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone
CID 101688545
(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134853688
(8S,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10922710
(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11128456
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11811576
(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938843
(6R,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10901407
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10934507
(1R,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10935518
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione
CID 10945963

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 11747627) is (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCC(=O)N2CCC[C@@H]12.
What is the InChIKey of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is ZHURZAAEJHLODG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-8-9-13(16)15-10-6-7-11(12)15/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 269.46 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 11747627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).