(3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one

C49H94O6Si4 — CID 177432845

About (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one

(3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one (PubChem CID 177432845) has the molecular formula C49H94O6Si4 and a molecular weight of 891.63 g/mol. Its IUPAC name is (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one.

Molecular Properties

• Compound Name: (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one
• PubChem CID: 177432845
• Molecular Formula: C49H94O6Si4
• Molecular Weight: 891.63 g/mol
• Exact Mass: 890.61
• IUPAC Name: (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one
• SMILES: CCC1/C=C(/C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C(=O)O[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C/C=C(C)/C=C(\C)[C@@H]1O[Si](CC)(CC)CC
• InChI: InChI=1S/C49H94O6Si4/c1-24-41-35-38(6)43(54-58(22,23)49(15,16)17)31-29-28-30-42(36-51-56(18,19)47(9,10)11)46(50)52-44(40(8)53-57(20,21)48(12,13)14)33-32-37(5)34-39(7)45(41)55-59(25-2,26-3)27-4/h28-30,32,34-35,40-41,43-45H,24-27,31,33,36H2,1-23H3/b29-28+,37-32+,38-35-,39-34+,42-30-/t40-,41?,43+,44+,45+/m1/s1
• InChIKey: FSAVICJTXNRRIX-MNRUOXGOSA-N
• XLogP: 15.25
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.63
LogP ≤ 5	15.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one?

The IUPAC name of (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one (CID 177432845) is (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one.

What is the SMILES notation for (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one?

The canonical SMILES for (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one is CCC1/C=C(/C)[C@@H](O[Si](C)(C)C(C)(C)C)C/C=C/C=C(/CO[Si](C)(C)C(C)(C)C)C(=O)O[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C/C=C(C)/C=C(\C)[C@@H]1O[Si](CC)(CC)CC.

What is the InChIKey of (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one?

The InChIKey is FSAVICJTXNRRIX-MNRUOXGOSA-N. The full InChI is InChI=1S/C49H94O6Si4/c1-24-41-35-38(6)43(54-58(22,23)49(15,16)17)31-29-28-30-42(36-51-56(18,19)47(9,10)11)46(50)52-44(40(8)53-57(20,21)48(12,13)14)33-32-37(5)34-39(7)45(41)55-59(25-2,26-3)27-4/h28-30,32,34-35,40-41,43-45H,24-27,31,33,36H2,1-23H3/b29-28+,37-32+,38-35-,39-34+,42-30-/t40-,41?,43+,44+,45+/m1/s1.

What are the key properties of (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one?

(3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one has a molecular weight of 891.63 g/mol, XLogP of 15.25, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,5E,8S,9Z,12R,13E,15E,18S)-8-[tert-butyl(dimethyl)silyl]oxy-18-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-ethyl-9,13,15-trimethyl-12-triethylsilyloxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-2-one is sourced from PubChem (CID 177432845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).