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

C14H27NO2Si — CID 24777963

IUPAC(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCN2C(=O)CC[C@@H]12
InChIInChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-7-6-10-15-11(12)8-9-13(15)16/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyPWVKGJSZXUKRIP-NWDGAFQWSA-N
MW269.46 g/mol
LogP3.16
Rot. Bonds2

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

(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 24777963) has the molecular formula C14H27NO2Si and a molecular weight of 269.46 g/mol. Its IUPAC name is (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID24777963
Molecular FormulaC14H27NO2Si
Molecular Weight269.46 g/mol
Exact Mass269.18
IUPAC Name(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCN2C(=O)CC[C@@H]12
InChIInChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-7-6-10-15-11(12)8-9-13(15)16/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1
InChIKeyPWVKGJSZXUKRIP-NWDGAFQWSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134853688
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(1R,8R,8aS)-1-hydroxy-8-tri(propan-2-yl)silyloxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 101419345
(7S,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 170938843
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10934507
(8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-1,3,6,7,8,8a-hexahydroindolizine-2,5-dione
CID 10945963
(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

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 24777963) is (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCCN2C(=O)CC[C@@H]12.
What is the InChIKey of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is PWVKGJSZXUKRIP-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H27NO2Si/c1-14(2,3)18(4,5)17-12-7-6-10-15-11(12)8-9-13(15)16/h11-12H,6-10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 269.46 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 24777963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).