(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C19H39NO4Si2 — CID 10501255

IUPAC(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-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@@]12O
InChIInChI=1S/C19H39NO4Si2/c1-17(2,3)25(7,8)23-14-15(24-26(9,10)18(4,5)6)19(22)12-11-13-20(19)16(14)21/h14-15,22H,11-13H2,1-10H3/t14-,15-,19-/m1/s1
InChIKeyQSGFIMKCAORXHZ-SPYBWZPUSA-N
MW401.70 g/mol
LogP4.09
Rot. Bonds4

About (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 10501255) has the molecular formula C19H39NO4Si2 and a molecular weight of 401.70 g/mol. Its IUPAC name is (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID10501255
Molecular FormulaC19H39NO4Si2
Molecular Weight401.70 g/mol
Exact Mass401.24
IUPAC Name(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-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@@]12O
InChIInChI=1S/C19H39NO4Si2/c1-17(2,3)25(7,8)23-14-15(24-26(9,10)18(4,5)6)19(22)12-11-13-20(19)16(14)21/h14-15,22H,11-13H2,1-10H3/t14-,15-,19-/m1/s1
InChIKeyQSGFIMKCAORXHZ-SPYBWZPUSA-N
XLogP4.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.70
LogP ≤ 54.09
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,6R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 71505794
(2S,7S,8S)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10639962
(2S,7R,8R)-8-hydroxy-7-methyl-2-tri(propan-2-yl)silyloxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10806141
(1S,6S,7R,8S)-1-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 11066100
(1R,2R,6R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 71505628
(1R,2R,6S,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 71505795
(1R,2R,6S,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-8-hydroxy-6-methyl-1,2,5,6-tetrahydropyrrolizin-3-one
CID 102344345
1-[Tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 4866723
(1S,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 10548156
(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10612188
(1S,8S)-1-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10826012
(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 102367800

Frequently Asked Questions

What is the IUPAC name of (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 10501255) is (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-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@@]12O.
What is the InChIKey of (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is QSGFIMKCAORXHZ-SPYBWZPUSA-N. The full InChI is InChI=1S/C19H39NO4Si2/c1-17(2,3)25(7,8)23-14-15(24-26(9,10)18(4,5)6)19(22)12-11-13-20(19)16(14)21/h14-15,22H,11-13H2,1-10H3/t14-,15-,19-/m1/s1.
What are the key properties of (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 401.70 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 10501255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).