(Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one

C33H68O5Si2 — CID 11192706

About (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one

(Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one (PubChem CID 11192706) has the molecular formula C33H68O5Si2 and a molecular weight of 601.07 g/mol. Its IUPAC name is (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one.

Molecular Properties

• Compound Name: (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one
• PubChem CID: 11192706
• Molecular Formula: C33H68O5Si2
• Molecular Weight: 601.07 g/mol
• Exact Mass: 600.46
• IUPAC Name: (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one
• SMILES: CC[C@H](/C=C(/C)[C@H](C[C@H](C[C@@H](O)C(C)(C)C(C)=O)OC)O[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C33H68O5Si2/c1-18-28(22-37-40(23(2)3,24(4)5)25(6)7)19-26(8)30(38-39(16,17)32(10,11)12)20-29(36-15)21-31(35)33(13,14)27(9)34/h19,23-25,28-31,35H,18,20-22H2,1-17H3/b26-19-/t28-,29-,30+,31-/m1/s1
• InChIKey: CUZAOOBHCUCFHY-JWIUFBLPSA-N
• XLogP: 9.31
• TPSA: 64.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.07
LogP ≤ 5	9.31
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 (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one?

The IUPAC name of (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one (CID 11192706) is (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one.

What is the SMILES notation for (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one?

The canonical SMILES for (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one is CC[C@H](/C=C(/C)[C@H](C[C@H](C[C@@H](O)C(C)(C)C(C)=O)OC)O[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one?

The InChIKey is CUZAOOBHCUCFHY-JWIUFBLPSA-N. The full InChI is InChI=1S/C33H68O5Si2/c1-18-28(22-37-40(23(2)3,24(4)5)25(6)7)19-26(8)30(38-39(16,17)32(10,11)12)20-29(36-15)21-31(35)33(13,14)27(9)34/h19,23-25,28-31,35H,18,20-22H2,1-17H3/b26-19-/t28-,29-,30+,31-/m1/s1.

What are the key properties of (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one?

(Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one has a molecular weight of 601.07 g/mol, XLogP of 9.31, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,4R,6S,8S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methoxy-3,3,9-trimethyl-11-[tri(propan-2-yl)silyloxymethyl]tridec-9-en-2-one is sourced from PubChem (CID 11192706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).