(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C17H33NO3Si — CID 101419345

IUPAC(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)[Si](O[C@@H]1CCCN2C(=O)C[C@@H](O)[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO3Si/c1-11(2)22(12(3)4,13(5)6)21-15-8-7-9-18-16(20)10-14(19)17(15)18/h11-15,17,19H,7-10H2,1-6H3/t14-,15-,17+/m1/s1
InChIKeyZPBGIDXSSATNIY-INMHGKMJSA-N
MW327.54 g/mol
LogP3.30
Rot. Bonds5

About (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 101419345) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID101419345
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Name(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)[Si](O[C@@H]1CCCN2C(=O)C[C@@H](O)[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C17H33NO3Si/c1-11(2)22(12(3)4,13(5)6)21-15-8-7-9-18-16(20)10-14(19)17(15)18/h11-15,17,19H,7-10H2,1-6H3/t14-,15-,17+/m1/s1
InChIKeyZPBGIDXSSATNIY-INMHGKMJSA-N
XLogP3.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one with MolForge

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Related Compounds

(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone
CID 101688545
(1R,2R,8S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8,8a-dihydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10836456
(1S,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10881163
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10934507
(1S,2S,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11098656
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 24777963
(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
(1R,2R,8aR)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-8a-hydroxy-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 102367800

Frequently Asked Questions

What is the IUPAC name of (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 101419345) is (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)[Si](O[C@@H]1CCCN2C(=O)C[C@@H](O)[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is ZPBGIDXSSATNIY-INMHGKMJSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-11(2)22(12(3)4,13(5)6)21-15-8-7-9-18-16(20)10-14(19)17(15)18/h11-15,17,19H,7-10H2,1-6H3/t14-,15-,17+/m1/s1.
What are the key properties of (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 327.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 101419345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).