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

C18H36NO5PSi — CID 11811576

IUPAC(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCCOP(=O)(OCC)C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CCCN2C1=O
InChIInChI=1S/C18H36NO5PSi/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/h14-16H,8-13H2,1-7H3/t14-,15+,16?/m0/s1
InChIKeyYJAZJRQELDXRPK-QMRHZFGWSA-N
MW405.55 g/mol
LogP4.41
Rot. Bonds7

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

(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 11811576) has the molecular formula C18H36NO5PSi and a molecular weight of 405.55 g/mol. Its IUPAC name is (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID11811576
Molecular FormulaC18H36NO5PSi
Molecular Weight405.55 g/mol
Exact Mass405.21
IUPAC Name(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCCOP(=O)(OCC)C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CCCN2C1=O
InChIInChI=1S/C18H36NO5PSi/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/h14-16H,8-13H2,1-7H3/t14-,15+,16?/m0/s1
InChIKeyYJAZJRQELDXRPK-QMRHZFGWSA-N
XLogP4.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11111626
lithium (8R)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-1,2,3,7,8,8a-hexahydroindolizin-6-id-5-one
CID 177408818
(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 (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 11811576) is (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CCOP(=O)(OCC)C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CCCN2C1=O.
What is the InChIKey of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is YJAZJRQELDXRPK-QMRHZFGWSA-N. The full InChI is InChI=1S/C18H36NO5PSi/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/h14-16H,8-13H2,1-7H3/t14-,15+,16?/m0/s1.
What are the key properties of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 405.55 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 11811576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).