(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one

C16H32NO5PSi — CID 11810944

IUPAC(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
SMILESCCOP(=O)(OCC)C1C[C@](C)(O[Si](C)(C)C)[C@@H]2CCCN2C1=O
InChIInChI=1S/C16H32NO5PSi/c1-7-20-23(19,21-8-2)13-12-16(3,22-24(4,5)6)14-10-9-11-17(14)15(13)18/h13-14H,7-12H2,1-6H3/t13?,14-,16-/m0/s1
InChIKeyFHXJVORTNCDRNX-DSUHRAPHSA-N
MW377.49 g/mol
LogP3.63
Rot. Bonds7

About (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one

(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one (PubChem CID 11810944) has the molecular formula C16H32NO5PSi and a molecular weight of 377.49 g/mol. Its IUPAC name is (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one.

Molecular Properties

Compound Name(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
PubChem CID11810944
Molecular FormulaC16H32NO5PSi
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
SMILESCCOP(=O)(OCC)C1C[C@](C)(O[Si](C)(C)C)[C@@H]2CCCN2C1=O
InChIInChI=1S/C16H32NO5PSi/c1-7-20-23(19,21-8-2)13-12-16(3,22-24(4,5)6)14-10-9-11-17(14)15(13)18/h13-14H,7-12H2,1-6H3/t13?,14-,16-/m0/s1
InChIKeyFHXJVORTNCDRNX-DSUHRAPHSA-N
XLogP3.63
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.63
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'}

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Related Compounds

(8S,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10922710
(8S,8aS)-6-diethoxyphosphoryl-8-hydroxy-8-methyl-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10946672
(8R,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 11128456
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-diethoxyphosphoryl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11811576
[(8S,8aS)-8-methyl-5-oxo-1,2,3,6,7,8a-hexahydroindolizin-8-yl] diethyl phosphate
CID 10859712
(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 (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
The IUPAC name of (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one (CID 11810944) is (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one.
What is the SMILES notation for (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
The canonical SMILES for (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one is CCOP(=O)(OCC)C1C[C@](C)(O[Si](C)(C)C)[C@@H]2CCCN2C1=O.
What is the InChIKey of (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
The InChIKey is FHXJVORTNCDRNX-DSUHRAPHSA-N. The full InChI is InChI=1S/C16H32NO5PSi/c1-7-20-23(19,21-8-2)13-12-16(3,22-24(4,5)6)14-10-9-11-17(14)15(13)18/h13-14H,7-12H2,1-6H3/t13?,14-,16-/m0/s1.
What are the key properties of (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one?
(8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one has a molecular weight of 377.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aS)-6-diethoxyphosphoryl-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 11810944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).