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

C20H41NO4Si2 — CID 102367800

IUPAC(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-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)N2CCCC[C@@]12O
InChIInChI=1S/C20H41NO4Si2/c1-18(2,3)26(7,8)24-15-16(25-27(9,10)19(4,5)6)20(23)13-11-12-14-21(20)17(15)22/h15-16,23H,11-14H2,1-10H3/t15-,16-,20-/m1/s1
InChIKeyZVQBAJUQGAFFBJ-JXXFODFXSA-N
MW415.72 g/mol
LogP4.48
Rot. Bonds4

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

(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 102367800) has the molecular formula C20H41NO4Si2 and a molecular weight of 415.72 g/mol. Its IUPAC name is (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID102367800
Molecular FormulaC20H41NO4Si2
Molecular Weight415.72 g/mol
Exact Mass415.26
IUPAC Name(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-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)N2CCCC[C@@]12O
InChIInChI=1S/C20H41NO4Si2/c1-18(2,3)26(7,8)24-15-16(25-27(9,10)19(4,5)6)20(23)13-11-12-14-21(20)17(15)22/h15-16,23H,11-14H2,1-10H3/t15-,16-,20-/m1/s1
InChIKeyZVQBAJUQGAFFBJ-JXXFODFXSA-N
XLogP4.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.72
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10501255
(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
(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
(1R,6R,7S,8aR)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11312670

Frequently Asked Questions

What is the IUPAC name of (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 102367800) is (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-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)N2CCCC[C@@]12O.
What is the InChIKey of (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is ZVQBAJUQGAFFBJ-JXXFODFXSA-N. The full InChI is InChI=1S/C20H41NO4Si2/c1-18(2,3)26(7,8)24-15-16(25-27(9,10)19(4,5)6)20(23)13-11-12-14-21(20)17(15)22/h15-16,23H,11-14H2,1-10H3/t15-,16-,20-/m1/s1.
What are the key properties of (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one?
(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 415.72 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 102367800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).