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

C14H26ClNO3Si — CID 102250862

IUPAC(2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC2[C@H](O)C[C@@H](Cl)C(=O)N2C1
InChIInChI=1S/C14H26ClNO3Si/c1-14(2,3)20(4,5)19-9-6-11-12(17)7-10(15)13(18)16(11)8-9/h9-12,17H,6-8H2,1-5H3/t9-,10-,11?,12-/m1/s1
InChIKeyYXSNUWMBGWTQFM-MAPNCKNWSA-N
MW319.91 g/mol
LogP2.35
Rot. Bonds2

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

(2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 102250862) has the molecular formula C14H26ClNO3Si and a molecular weight of 319.91 g/mol. Its IUPAC name is (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID102250862
Molecular FormulaC14H26ClNO3Si
Molecular Weight319.91 g/mol
Exact Mass319.14
IUPAC Name(2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC2[C@H](O)C[C@@H](Cl)C(=O)N2C1
InChIInChI=1S/C14H26ClNO3Si/c1-14(2,3)20(4,5)19-9-6-11-12(17)7-10(15)13(18)16(11)8-9/h9-12,17H,6-8H2,1-5H3/t9-,10-,11?,12-/m1/s1
InChIKeyYXSNUWMBGWTQFM-MAPNCKNWSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.91
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone
CID 101688545
(2R,6R,8S,8aR)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-iodo-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10812521
(2R,6R,8R,8aS)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-iodo-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10836358
(6R,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10901407
(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
(6S,8R,8aS)-6-chloro-8-trimethylsilyloxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11108122
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102250859

Frequently Asked Questions

What is the IUPAC name of (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 102250862) is (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC(C)(C)[Si](C)(C)O[C@@H]1CC2[C@H](O)C[C@@H](Cl)C(=O)N2C1.
What is the InChIKey of (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is YXSNUWMBGWTQFM-MAPNCKNWSA-N. The full InChI is InChI=1S/C14H26ClNO3Si/c1-14(2,3)20(4,5)19-9-6-11-12(17)7-10(15)13(18)16(11)8-9/h9-12,17H,6-8H2,1-5H3/t9-,10-,11?,12-/m1/s1.
What are the key properties of (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 319.91 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,8R)-2-[tert-butyl(dimethyl)silyl]oxy-6-chloro-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 102250862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).