(4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one

C19H33NO2Si — CID 11427647

IUPAC(4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1CCC[C@@]23CCC=C2CC(=O)N13
InChIInChI=1S/C19H33NO2Si/c1-18(2,3)23(4,5)22-13-10-16-9-7-12-19-11-6-8-15(19)14-17(21)20(16)19/h8,16H,6-7,9-14H2,1-5H3/t16-,19+/m1/s1
InChIKeyUNTPFKUBARCNRY-APWZRJJASA-N
MW335.56 g/mol
LogP4.64
Rot. Bonds4

About (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one

(4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one (PubChem CID 11427647) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one.

Molecular Properties

Compound Name(4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one
PubChem CID11427647
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name(4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1CCC[C@@]23CCC=C2CC(=O)N13
InChIInChI=1S/C19H33NO2Si/c1-18(2,3)23(4,5)22-13-10-16-9-7-12-19-11-6-8-15(19)14-17(21)20(16)19/h8,16H,6-7,9-14H2,1-5H3/t16-,19+/m1/s1
InChIKeyUNTPFKUBARCNRY-APWZRJJASA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one?
The IUPAC name of (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one (CID 11427647) is (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one.
What is the SMILES notation for (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one?
The canonical SMILES for (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one is CC(C)(C)[Si](C)(C)OCC[C@H]1CCC[C@@]23CCC=C2CC(=O)N13.
What is the InChIKey of (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one?
The InChIKey is UNTPFKUBARCNRY-APWZRJJASA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-18(2,3)23(4,5)22-13-10-16-9-7-12-19-11-6-8-15(19)14-17(21)20(16)19/h8,16H,6-7,9-14H2,1-5H3/t16-,19+/m1/s1.
What are the key properties of (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one?
(4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one has a molecular weight of 335.56 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,10aR)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,4,7,9,10-hexahydro-1H-cyclopenta[i]indolizin-6-one is sourced from PubChem (CID 11427647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).