lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one

C18H35LiNO5PSi — CID 177408818

IUPAClithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one
SMILESCCOP(=O)(OCC)[C-]1C[C@@H](O[Si](C)(C)C(C)(C)C)C2CCCN2C1=O.[Li+]
InChIInChI=1S/C18H35NO5PSi.Li/c1-8-22-25(21,23-9-2)16-13-15(24-26(6,7)18(3,4)5)14-11-10-12-19(14)17(16)20;/h14-15H,8-13H2,1-7H3;/q-1;+1/t14?,15-;/m1./s1
InChIKeyYQVSALLJBKUCLC-NUNOUFIPSA-N
MW411.48 g/mol
LogP1.57
Rot. Bonds7

About lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one

lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one (PubChem CID 177408818) has the molecular formula C18H35LiNO5PSi and a molecular weight of 411.48 g/mol. Its IUPAC name is lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one.

Molecular Properties

Compound Namelithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one
PubChem CID177408818
Molecular FormulaC18H35LiNO5PSi
Molecular Weight411.48 g/mol
Exact Mass411.22
IUPAC Namelithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one
SMILESCCOP(=O)(OCC)[C-]1C[C@@H](O[Si](C)(C)C(C)(C)C)C2CCCN2C1=O.[Li+]
InChIInChI=1S/C18H35NO5PSi.Li/c1-8-22-25(21,23-9-2)16-13-15(24-26(6,7)18(3,4)5)14-11-10-12-19(14)17(16)20;/h14-15H,8-13H2,1-7H3;/q-1;+1/t14?,15-;/m1./s1
InChIKeyYQVSALLJBKUCLC-NUNOUFIPSA-N
XLogP1.57
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11810944
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11811576
(8R,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11111626
(8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 177408819

Frequently Asked Questions

What is the IUPAC name of lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one?
The IUPAC name of lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one (CID 177408818) is lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one.
What is the SMILES notation for lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one?
The canonical SMILES for lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one is CCOP(=O)(OCC)[C-]1C[C@@H](O[Si](C)(C)C(C)(C)C)C2CCCN2C1=O.[Li+].
What is the InChIKey of lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one?
The InChIKey is YQVSALLJBKUCLC-NUNOUFIPSA-N. The full InChI is InChI=1S/C18H35NO5PSi.Li/c1-8-22-25(21,23-9-2)16-13-15(24-26(6,7)18(3,4)5)14-11-10-12-19(14)17(16)20;/h14-15H,8-13H2,1-7H3;/q-1;+1/t14?,15-;/m1./s1.
What are the key properties of lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one?
lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one has a molecular weight of 411.48 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one is sourced from PubChem (CID 177408818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).