methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate

C20H33NO4Si — CID 11153193

IUPACmethyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate
SMILESCOC(=O)C1=C2CCC[C@]23CCC[C@H](CO[Si](C)(C)C(C)(C)C)N3C1=O
InChIInChI=1S/C20H33NO4Si/c1-19(2,3)26(5,6)25-13-14-9-7-11-20-12-8-10-15(20)16(18(23)24-4)17(22)21(14)20/h14H,7-13H2,1-6H3/t14-,20-/m1/s1
InChIKeyJBKXRISQVICZHR-JLTOFOAXSA-N
MW379.57 g/mol
LogP3.80
Rot. Bonds4

About methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate

methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate (PubChem CID 11153193) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate.

Molecular Properties

Compound Namemethyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate
PubChem CID11153193
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Namemethyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate
SMILESCOC(=O)C1=C2CCC[C@]23CCC[C@H](CO[Si](C)(C)C(C)(C)C)N3C1=O
InChIInChI=1S/C20H33NO4Si/c1-19(2,3)26(5,6)25-13-14-9-7-11-20-12-8-10-15(20)16(18(23)24-4)17(22)21(14)20/h14H,7-13H2,1-6H3/t14-,20-/m1/s1
InChIKeyJBKXRISQVICZHR-JLTOFOAXSA-N
XLogP3.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate?
The IUPAC name of methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate (CID 11153193) is methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate.
What is the SMILES notation for methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate?
The canonical SMILES for methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate is COC(=O)C1=C2CCC[C@]23CCC[C@H](CO[Si](C)(C)C(C)(C)C)N3C1=O.
What is the InChIKey of methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate?
The InChIKey is JBKXRISQVICZHR-JLTOFOAXSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-19(2,3)26(5,6)25-13-14-9-7-11-20-12-8-10-15(20)16(18(23)24-4)17(22)21(14)20/h14H,7-13H2,1-6H3/t14-,20-/m1/s1.
What are the key properties of methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate?
methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate has a molecular weight of 379.57 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,10aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-oxo-2,3,4,8,9,10-hexahydro-1H-cyclopenta[i]indolizine-7-carboxylate is sourced from PubChem (CID 11153193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).