(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

C20H39F2NO4Si2 — CID 71505795

IUPAC(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
SMILESC[C@H]1CN2C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]2(O)C1(F)F
InChIInChI=1S/C20H39F2NO4Si2/c1-13-12-23-16(24)14(26-28(8,9)17(2,3)4)15(20(23,25)19(13,21)22)27-29(10,11)18(5,6)7/h13-15,25H,12H2,1-11H3/t13-,14+,15+,20+/m0/s1
InChIKeySNXBQWFFQQVKJU-LYKCQVCGSA-N
MW451.70 g/mol
LogP4.58
Rot. Bonds4

About (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

(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 (PubChem CID 71505795) has the molecular formula C20H39F2NO4Si2 and a molecular weight of 451.70 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71505795
Molecular FormulaC20H39F2NO4Si2
Molecular Weight451.70 g/mol
Exact Mass451.24
IUPAC Name(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
SMILESC[C@H]1CN2C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]2(O)C1(F)F
InChIInChI=1S/C20H39F2NO4Si2/c1-13-12-23-16(24)14(26-28(8,9)17(2,3)4)15(20(23,25)19(13,21)22)27-29(10,11)18(5,6)7/h13-15,25H,12H2,1-11H3/t13-,14+,15+,20+/m0/s1
InChIKeySNXBQWFFQQVKJU-LYKCQVCGSA-N
XLogP4.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.70
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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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
(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
(1S,2R,6R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-7,7-difluoro-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505256
(1S,2R,6R,8R)-1-[tert-butyl(dimethyl)silyl]oxy-7,7-difluoro-2-hydroxy-6-methyl-2,5,6,8-tetrahydro-1H-pyrrolizin-3-one
CID 71505446
(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,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
(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
(1R,2R,8R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8-hydroxy-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 10501255

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1CN2C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]2(O)C1(F)F.
What is the InChIKey of (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?
The InChIKey is SNXBQWFFQQVKJU-LYKCQVCGSA-N. The full InChI is InChI=1S/C20H39F2NO4Si2/c1-13-12-23-16(24)14(26-28(8,9)17(2,3)4)15(20(23,25)19(13,21)22)27-29(10,11)18(5,6)7/h13-15,25H,12H2,1-11H3/t13-,14+,15+,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 451.70 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71505795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).