ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate

C23H44O5Si — CID 11846594

About ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate

ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate (PubChem CID 11846594) has the molecular formula C23H44O5Si and a molecular weight of 428.69 g/mol. Its IUPAC name is ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate.

Molecular Properties

• Compound Name: ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate
• PubChem CID: 11846594
• Molecular Formula: C23H44O5Si
• Molecular Weight: 428.69 g/mol
• Exact Mass: 428.30
• IUPAC Name: ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate
• SMILES: CCOC(=O)CC(=O)C[C@@H](O)/C(C)=C\[C@@H](CC)CO[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C23H44O5Si/c1-10-20(15-28-29(16(3)4,17(5)6)18(7)8)12-19(9)22(25)13-21(24)14-23(26)27-11-2/h12,16-18,20,22,25H,10-11,13-15H2,1-9H3/b19-12-/t20-,22-/m1/s1
• InChIKey: HABVLKDQJIVPBG-GXAKAIMPSA-N
• XLogP: 5.42
• TPSA: 72.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.69
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', '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 ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate?

The IUPAC name of ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate (CID 11846594) is ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate.

What is the SMILES notation for ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate?

The canonical SMILES for ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate is CCOC(=O)CC(=O)C[C@@H](O)/C(C)=C\[C@@H](CC)CO[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate?

The InChIKey is HABVLKDQJIVPBG-GXAKAIMPSA-N. The full InChI is InChI=1S/C23H44O5Si/c1-10-20(15-28-29(16(3)4,17(5)6)18(7)8)12-19(9)22(25)13-21(24)14-23(26)27-11-2/h12,16-18,20,22,25H,10-11,13-15H2,1-9H3/b19-12-/t20-,22-/m1/s1.

What are the key properties of ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate?

ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate has a molecular weight of 428.69 g/mol, XLogP of 5.42, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z,5R,8R)-5-hydroxy-6-methyl-3-oxo-8-[tri(propan-2-yl)silyloxymethyl]dec-6-enoate is sourced from PubChem (CID 11846594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).