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

C14H26ClNO3Si — CID 102250859

IUPAC(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)C2CC(Cl)C(=O)N2C1
InChIInChI=1S/C14H26ClNO3Si/c1-14(2,3)20(4,5)19-9-6-12(17)11-7-10(15)13(18)16(11)8-9/h9-12,17H,6-8H2,1-5H3/t9-,10?,11?,12-/m1/s1
InChIKeyOKDLLEIIJDCSON-HBIQZDMRSA-N
MW319.91 g/mol
LogP2.35
Rot. Bonds2

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

(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 102250859) has the molecular formula C14H26ClNO3Si and a molecular weight of 319.91 g/mol. Its IUPAC name is (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID102250859
Molecular FormulaC14H26ClNO3Si
Molecular Weight319.91 g/mol
Exact Mass319.14
IUPAC Name(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)C2CC(Cl)C(=O)N2C1
InChIInChI=1S/C14H26ClNO3Si/c1-14(2,3)20(4,5)19-9-6-12(17)11-7-10(15)13(18)16(11)8-9/h9-12,17H,6-8H2,1-5H3/t9-,10?,11?,12-/m1/s1
InChIKeyOKDLLEIIJDCSON-HBIQZDMRSA-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 (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Launch Full Analysis

Related Compounds

(2R,8R,8aS)-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10965289
(6S,7S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6,7-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 46187120
2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 85348787
(2R,6R,8R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-iodo-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101022365
(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

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (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) is (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](O)C2CC(Cl)C(=O)N2C1.
What is the InChIKey of (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is OKDLLEIIJDCSON-HBIQZDMRSA-N. The full InChI is InChI=1S/C14H26ClNO3Si/c1-14(2,3)20(4,5)19-9-6-12(17)11-7-10(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 (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-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 (6R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-2-chloro-8-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 102250859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).