(Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal

C28H58O4Si2 — CID 11203085

About (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal

(Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal (PubChem CID 11203085) has the molecular formula C28H58O4Si2 and a molecular weight of 514.94 g/mol. Its IUPAC name is (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal.

Molecular Properties

• Compound Name: (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal
• PubChem CID: 11203085
• Molecular Formula: C28H58O4Si2
• Molecular Weight: 514.94 g/mol
• Exact Mass: 514.39
• IUPAC Name: (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal
• SMILES: CC[C@H](/C=C(/C)[C@H](C[C@H](CC=O)OC)O[Si](C)(C)C(C)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C28H58O4Si2/c1-15-25(20-31-34(21(2)3,22(4)5)23(6)7)18-24(8)27(19-26(30-12)16-17-29)32-33(13,14)28(9,10)11/h17-18,21-23,25-27H,15-16,19-20H2,1-14H3/b24-18-/t25-,26+,27+/m1/s1
• InChIKey: PCGBGABJNHQWOC-YRMNIYFYSA-N
• XLogP: 8.54
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.94
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal?

The IUPAC name of (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal (CID 11203085) is (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal.

What is the SMILES notation for (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal?

The canonical SMILES for (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal is CC[C@H](/C=C(/C)[C@H](C[C@H](CC=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,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal?

The InChIKey is PCGBGABJNHQWOC-YRMNIYFYSA-N. The full InChI is InChI=1S/C28H58O4Si2/c1-15-25(20-31-34(21(2)3,22(4)5)23(6)7)18-24(8)27(19-26(30-12)16-17-29)32-33(13,14)28(9,10)11/h17-18,21-23,25-27H,15-16,19-20H2,1-14H3/b24-18-/t25-,26+,27+/m1/s1.

What are the key properties of (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal?

(Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal has a molecular weight of 514.94 g/mol, XLogP of 8.54, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z,3R,5S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-6-methyl-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enal is sourced from PubChem (CID 11203085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).