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

C39H68O5Si2 — CID 138981335

About (1R,2S,5R,7S,9S,10R,14S,15R,19R)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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 138981335) has the molecular formula C39H68O5Si2 and a molecular weight of 673.14 g/mol. Its IUPAC name is (1R,2S,5R,7S,9S,10R,14S,15R,19R)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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: 138981335
• Molecular Formula: C39H68O5Si2
• Molecular Weight: 673.14 g/mol
• Exact Mass: 672.46
• IUPAC Name: (1R,2S,5R,7S,9S,10R,14S,15R,19R)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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[Si](C)(C)C(C)(C)C)C[C@H]34)[C@H]2CC(=O)O1
• InChI: InChI=1S/C39H68O5Si2/c1-14-29-16-15-17-36(44-46(24(2)3,25(4)5)26(6)7)27(8)38(41)35-22-33-31(34(35)23-37(40)42-29)19-18-28-20-30(21-32(28)33)43-45(12,13)39(9,10)11/h18-19,22,24-34,36H,14-17,20-21,23H2,1-13H3/t27-,28-,29+,30-,31-,32-,33-,34+,36+/m0/s1
• InChIKey: ZXWBWQHBZFMXOR-JUBIJOSWSA-N
• XLogP: 10.42
• TPSA: 61.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.14
LogP ≤ 5	10.42
H-Bond Donors ≤ 5	0
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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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 138981335) is (1R,2S,5R,7S,9S,10R,14S,15R,19R)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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[Si](C)(C)C(C)(C)C)C[C@H]34)[C@H]2CC(=O)O1.

What is the InChIKey of (1R,2S,5R,7S,9S,10R,14S,15R,19R)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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 ZXWBWQHBZFMXOR-JUBIJOSWSA-N. The full InChI is InChI=1S/C39H68O5Si2/c1-14-29-16-15-17-36(44-46(24(2)3,25(4)5)26(6)7)27(8)38(41)35-22-33-31(34(35)23-37(40)42-29)19-18-28-20-30(21-32(28)33)43-45(12,13)39(9,10)11/h18-19,22,24-34,36H,14-17,20-21,23H2,1-13H3/t27-,28-,29+,30-,31-,32-,33-,34+,36+/m0/s1.

What are the key properties of (1R,2S,5R,7S,9S,10R,14S,15R,19R)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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 673.14 g/mol, XLogP of 10.42, 8 rotatable bonds, 0 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)-7-[tert-butyl(dimethyl)silyl]oxy-19-ethyl-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 138981335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).