(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C15H29NO2Si — CID 134853688

IUPAC(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H]2CCCC(=O)N21
InChIInChI=1S/C15H29NO2Si/c1-15(2,3)19(4,5)18-11-13-10-9-12-7-6-8-14(17)16(12)13/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyOVPUXLDRAYCXPF-OLZOCXBDSA-N
MW283.49 g/mol
LogP3.55
Rot. Bonds3

About (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 134853688) has the molecular formula C15H29NO2Si and a molecular weight of 283.49 g/mol. Its IUPAC name is (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID134853688
Molecular FormulaC15H29NO2Si
Molecular Weight283.49 g/mol
Exact Mass283.20
IUPAC Name(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H]2CCCC(=O)N21
InChIInChI=1S/C15H29NO2Si/c1-15(2,3)19(4,5)18-11-13-10-9-12-7-6-8-14(17)16(12)13/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyOVPUXLDRAYCXPF-OLZOCXBDSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.55
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

(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone
CID 101688545
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11747627
(6R,8aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 145114026
(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,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
(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-cyclohexyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 15297493
(8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 24777963

Frequently Asked Questions

What is the IUPAC name of (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 134853688) is (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H]2CCCC(=O)N21.
What is the InChIKey of (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is OVPUXLDRAYCXPF-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H29NO2Si/c1-15(2,3)19(4,5)18-11-13-10-9-12-7-6-8-14(17)16(12)13/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 283.49 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 134853688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).