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

C18H35NO2Si — CID 15427514

IUPAC(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)[Si](OC[C@@H]1CCCN2C(=O)CC[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C18H35NO2Si/c1-13(2)22(14(3)4,15(5)6)21-12-16-8-7-11-19-17(16)9-10-18(19)20/h13-17H,7-12H2,1-6H3/t16-,17-/m0/s1
InChIKeyFBTKLDYOZCLKGL-IRXDYDNUSA-N
MW325.57 g/mol
LogP4.58
Rot. Bonds6

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

(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 15427514) has the molecular formula C18H35NO2Si and a molecular weight of 325.57 g/mol. Its IUPAC name is (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID15427514
Molecular FormulaC18H35NO2Si
Molecular Weight325.57 g/mol
Exact Mass325.24
IUPAC Name(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)[Si](OC[C@@H]1CCCN2C(=O)CC[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C18H35NO2Si/c1-13(2)22(14(3)4,15(5)6)21-12-16-8-7-11-19-17(16)9-10-18(19)20/h13-17H,7-12H2,1-6H3/t16-,17-/m0/s1
InChIKeyFBTKLDYOZCLKGL-IRXDYDNUSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10569267
(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
CID 145113983
(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 145114026
(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938843
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 10711195
(8S,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10806008
(7R,8R,8aS)-8-(3-ethyloxiran-2-yl)-7-triethylsilyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11035189
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyclohexyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 15297493

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 15427514) is (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)[Si](OC[C@@H]1CCCN2C(=O)CC[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is FBTKLDYOZCLKGL-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H35NO2Si/c1-13(2)22(14(3)4,15(5)6)21-12-16-8-7-11-19-17(16)9-10-18(19)20/h13-17H,7-12H2,1-6H3/t16-,17-/m0/s1.
What are the key properties of (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 325.57 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 15427514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).