(1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

C33H54O5Si — CID 11734401

About (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

(1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione (PubChem CID 11734401) has the molecular formula C33H54O5Si and a molecular weight of 558.88 g/mol. Its IUPAC name is (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione.

Molecular Properties

• Compound Name: (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
• PubChem CID: 11734401
• Molecular Formula: C33H54O5Si
• Molecular Weight: 558.88 g/mol
• Exact Mass: 558.37
• IUPAC Name: (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
• SMILES: CC[C@@H]1CCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(=O)C2=C[C@H]3[C@H](C=C[C@H]4C[C@H](O)C[C@H]34)[C@H]2CC(=O)O1
• InChI: InChI=1S/C33H54O5Si/c1-9-25-11-10-12-31(38-39(19(2)3,20(4)5)21(6)7)22(8)33(36)30-17-28-26(29(30)18-32(35)37-25)14-13-23-15-24(34)16-27(23)28/h13-14,17,19-29,31,34H,9-12,15-16,18H2,1-8H3/t22-,23-,24-,25+,26-,27-,28-,29+,31+/m0/s1
• InChIKey: UTUHHAWTIMMMDF-CXYNSINSSA-N
• XLogP: 7.39
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.88
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

The IUPAC name of (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione (CID 11734401) is (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione.

What is the SMILES notation for (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

The canonical SMILES for (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione is CC[C@@H]1CCC[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)C(=O)C2=C[C@H]3[C@H](C=C[C@H]4C[C@H](O)C[C@H]34)[C@H]2CC(=O)O1.

What is the InChIKey of (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

The InChIKey is UTUHHAWTIMMMDF-CXYNSINSSA-N. The full InChI is InChI=1S/C33H54O5Si/c1-9-25-11-10-12-31(38-39(19(2)3,20(4)5)21(6)7)22(8)33(36)30-17-28-26(29(30)18-32(35)37-25)14-13-23-15-24(34)16-27(23)28/h13-14,17,19-29,31,34H,9-12,15-16,18H2,1-8H3/t22-,23-,24-,25+,26-,27-,28-,29+,31+/m0/s1.

What are the key properties of (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione?

(1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione has a molecular weight of 558.88 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,5R,7S,9S,10R,14S,15R,19R)-19-ethyl-7-hydroxy-14-methyl-15-tri(propan-2-yl)silyloxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione is sourced from PubChem (CID 11734401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).