(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one

C17H33NO2Si — CID 145113983

IUPAC(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)C[C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)CN2C1=O
InChIInChI=1S/C17H33NO2Si/c1-16(2,3)21(6,7)20-12-13-8-9-14-10-17(4,5)15(19)18(14)11-13/h13-14H,8-12H2,1-7H3/t13-,14+/m1/s1
InChIKeyUBEOGJRMHSHKOY-KGLIPLIRSA-N
MW311.54 g/mol
LogP4.05
Rot. Bonds3

About (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one

(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one (PubChem CID 145113983) has the molecular formula C17H33NO2Si and a molecular weight of 311.54 g/mol. Its IUPAC name is (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
PubChem CID145113983
Molecular FormulaC17H33NO2Si
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC Name(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCC1(C)C[C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)CN2C1=O
InChIInChI=1S/C17H33NO2Si/c1-16(2,3)21(6,7)20-12-13-8-9-14-10-17(4,5)15(19)18(14)11-13/h13-14H,8-12H2,1-7H3/t13-,14+/m1/s1
InChIKeyUBEOGJRMHSHKOY-KGLIPLIRSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The IUPAC name of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one (CID 145113983) is (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one is CC1(C)C[C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)CN2C1=O.
What is the InChIKey of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
The InChIKey is UBEOGJRMHSHKOY-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H33NO2Si/c1-16(2,3)21(6,7)20-12-13-8-9-14-10-17(4,5)15(19)18(14)11-13/h13-14H,8-12H2,1-7H3/t13-,14+/m1/s1.
What are the key properties of (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one?
(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one has a molecular weight of 311.54 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,5,6,7,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 145113983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).