ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate

C37H53NO3Si — CID 11753583

About ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate

ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate (PubChem CID 11753583) has the molecular formula C37H53NO3Si and a molecular weight of 587.92 g/mol. Its IUPAC name is ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate.

Molecular Properties

• Compound Name: ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate
• PubChem CID: 11753583
• Molecular Formula: C37H53NO3Si
• Molecular Weight: 587.92 g/mol
• Exact Mass: 587.38
• IUPAC Name: ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate
• SMILES: C=CC[C@H]1CCC[C@]2(CCC[C@@H]2[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1CC(=C)C(=O)OCC
• InChI: InChI=1S/C37H53NO3Si/c1-8-18-31-19-16-25-37(38(31)27-29(3)35(39)40-9-2)26-17-24-34(37)30(4)28-41-42(36(5,6)7,32-20-12-10-13-21-32)33-22-14-11-15-23-33/h8,10-15,20-23,30-31,34H,1,3,9,16-19,24-28H2,2,4-7H3/t30-,31-,34+,37+/m0/s1
• InChIKey: CPIPVJIGOKMZQK-RLJOAXSFSA-N
• XLogP: 7.29
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.92
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate?

The IUPAC name of ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate (CID 11753583) is ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate.

What is the SMILES notation for ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate?

The canonical SMILES for ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate is C=CC[C@H]1CCC[C@]2(CCC[C@@H]2[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1CC(=C)C(=O)OCC.

What is the InChIKey of ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate?

The InChIKey is CPIPVJIGOKMZQK-RLJOAXSFSA-N. The full InChI is InChI=1S/C37H53NO3Si/c1-8-18-31-19-16-25-37(38(31)27-29(3)35(39)40-9-2)26-17-24-34(37)30(4)28-41-42(36(5,6)7,32-20-12-10-13-21-32)33-22-14-11-15-23-33/h8,10-15,20-23,30-31,34H,1,3,9,16-19,24-28H2,2,4-7H3/t30-,31-,34+,37+/m0/s1.

What are the key properties of ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate?

ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate has a molecular weight of 587.92 g/mol, XLogP of 7.29, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[(4R,5S,7R)-4-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-7-prop-2-enyl-6-azaspiro[4.5]decan-6-yl]methyl]prop-2-enoate is sourced from PubChem (CID 11753583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).