(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione

C14H25NO3Si — CID 10945963

IUPAC(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N2CC(=O)C[C@H]12
InChIInChI=1S/C14H25NO3Si/c1-14(2,3)19(4,5)18-12-6-7-13(17)15-9-10(16)8-11(12)15/h11-12H,6-9H2,1-5H3/t11-,12+/m1/s1
InChIKeyYKANRKNTEWSXIP-NEPJUHHUSA-N
MW283.44 g/mol
LogP2.34
Rot. Bonds2

About (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione

(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione (PubChem CID 10945963) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione.

Molecular Properties

Compound Name(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione
PubChem CID10945963
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N2CC(=O)C[C@H]12
InChIInChI=1S/C14H25NO3Si/c1-14(2,3)19(4,5)18-12-6-7-13(17)15-9-10(16)8-11(12)15/h11-12H,6-9H2,1-5H3/t11-,12+/m1/s1
InChIKeyYKANRKNTEWSXIP-NEPJUHHUSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone
CID 101688545
(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134853688
(8S,8aS)-8-methyl-8-trimethylsilyloxy-1,2,3,6,7,8a-hexahydroindolizin-5-one
CID 10922710
(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-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10934507
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 24777963

Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione?
The IUPAC name of (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione (CID 10945963) is (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione.
What is the SMILES notation for (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione?
The canonical SMILES for (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione is CC(C)(C)[Si](C)(C)O[C@H]1CCC(=O)N2CC(=O)C[C@H]12.
What is the InChIKey of (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione?
The InChIKey is YKANRKNTEWSXIP-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-14(2,3)19(4,5)18-12-6-7-13(17)15-9-10(16)8-11(12)15/h11-12H,6-9H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione?
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione has a molecular weight of 283.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione is sourced from PubChem (CID 10945963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).