(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one

C18H35NO3Si — CID 10569267

IUPAC(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC(C)[Si](OC[C@@H]1CCCN2C(=O)CC[C@@]12O)(C(C)C)C(C)C
InChIInChI=1S/C18H35NO3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16-8-7-11-19-17(20)9-10-18(16,19)21/h13-16,21H,7-12H2,1-6H3/t16-,18+/m0/s1
InChIKeySRLBITGAONFGFQ-FUHWJXTLSA-N
MW341.57 g/mol
LogP3.90
Rot. Bonds6

About (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one

(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 10569267) has the molecular formula C18H35NO3Si and a molecular weight of 341.57 g/mol. Its IUPAC name is (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID10569267
Molecular FormulaC18H35NO3Si
Molecular Weight341.57 g/mol
Exact Mass341.24
IUPAC Name(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESCC(C)[Si](OC[C@@H]1CCCN2C(=O)CC[C@@]12O)(C(C)C)C(C)C
InChIInChI=1S/C18H35NO3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16-8-7-11-19-17(20)9-10-18(16,19)21/h13-16,21H,7-12H2,1-6H3/t16-,18+/m0/s1
InChIKeySRLBITGAONFGFQ-FUHWJXTLSA-N
XLogP3.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10726184
(8R,8aS)-8-[tri(propan-2-yl)silyloxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 15427514
(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
(8R,8aS)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 15427513
8a-Hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 85247231

Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 10569267) is (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one is CC(C)[Si](OC[C@@H]1CCCN2C(=O)CC[C@@]12O)(C(C)C)C(C)C.
What is the InChIKey of (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is SRLBITGAONFGFQ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H35NO3Si/c1-13(2)23(14(3)4,15(5)6)22-12-16-8-7-11-19-17(20)9-10-18(16,19)21/h13-16,21H,7-12H2,1-6H3/t16-,18+/m0/s1.
What are the key properties of (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one?
(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 341.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 10569267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).