(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one

C20H41NO5Si2 — CID 10836456

IUPAC(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N2CCC[C@H](O)C12O
InChIInChI=1S/C20H41NO5Si2/c1-18(2,3)27(7,8)25-15-16(26-28(9,10)19(4,5)6)20(24)14(22)12-11-13-21(20)17(15)23/h14-16,22,24H,11-13H2,1-10H3/t14-,15+,16+,20?/m0/s1
InChIKeySVOYBWZBPBAWSZ-VZSIPSJESA-N
MW431.72 g/mol
LogP3.45
Rot. Bonds4

About (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one

(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 10836456) has the molecular formula C20H41NO5Si2 and a molecular weight of 431.72 g/mol. Its IUPAC name is (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID10836456
Molecular FormulaC20H41NO5Si2
Molecular Weight431.72 g/mol
Exact Mass431.25
IUPAC Name(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N2CCC[C@H](O)C12O
InChIInChI=1S/C20H41NO5Si2/c1-18(2,3)27(7,8)25-15-16(26-28(9,10)19(4,5)6)20(24)14(22)12-11-13-21(20)17(15)23/h14-16,22,24H,11-13H2,1-10H3/t14-,15+,16+,20?/m0/s1
InChIKeySVOYBWZBPBAWSZ-VZSIPSJESA-N
XLogP3.45
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.72
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R,7S,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8-difluoro-8a-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 71505797
(1R,2R,7R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8-difluoro-8a-hydroxy-7-methyl-2,5,6,7-tetrahydro-1H-indolizin-3-one
CID 71505796
(6S,7R,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10924627
(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101419345
(1S)-1,2,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 53927032
(1R,8S,8aR)-1,2,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 59904011
(1S,8S,8aR)-1,2,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 91545701
(1S,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10881163
(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
(1S,6R,7S,8R,8aS)-1,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10951707
(6S,7R,8S,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11077483
(1S,2S,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11098656

Frequently Asked Questions

What is the IUPAC name of (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 10836456) is (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)N2CCC[C@H](O)C12O.
What is the InChIKey of (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is SVOYBWZBPBAWSZ-VZSIPSJESA-N. The full InChI is InChI=1S/C20H41NO5Si2/c1-18(2,3)27(7,8)25-15-16(26-28(9,10)19(4,5)6)20(24)14(22)12-11-13-21(20)17(15)23/h14-16,22,24H,11-13H2,1-10H3/t14-,15+,16+,20?/m0/s1.
What are the key properties of (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 431.72 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 10836456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).