(6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol

C25H50O6Si — CID 11754676

About (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol

(6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol (PubChem CID 11754676) has the molecular formula C25H50O6Si and a molecular weight of 474.76 g/mol. Its IUPAC name is (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol.

Molecular Properties

• Compound Name: (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol
• PubChem CID: 11754676
• Molecular Formula: C25H50O6Si
• Molecular Weight: 474.76 g/mol
• Exact Mass: 474.34
• IUPAC Name: (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol
• SMILES: C=C(C)C(O)CC/C(C)=C/[C@@H](OCOC)[C@H](CCOCOC)CCO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H50O6Si/c1-20(2)23(26)12-11-21(3)17-24(30-19-28-8)22(13-15-29-18-27-7)14-16-31-32(9,10)25(4,5)6/h17,22-24,26H,1,11-16,18-19H2,2-10H3/b21-17+/t22-,23?,24-/m1/s1
• InChIKey: WZSPIXUHKCYWJF-HEKPJGJASA-N
• XLogP: 5.68
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.76
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol?

The IUPAC name of (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol (CID 11754676) is (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol.

What is the SMILES notation for (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol?

The canonical SMILES for (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol is C=C(C)C(O)CC/C(C)=C/[C@@H](OCOC)[C@H](CCOCOC)CCO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol?

The InChIKey is WZSPIXUHKCYWJF-HEKPJGJASA-N. The full InChI is InChI=1S/C25H50O6Si/c1-20(2)23(26)12-11-21(3)17-24(30-19-28-8)22(13-15-29-18-27-7)14-16-31-32(9,10)25(4,5)6/h17,22-24,26H,1,11-16,18-19H2,2-10H3/b21-17+/t22-,23?,24-/m1/s1.

What are the key properties of (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol?

(6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol has a molecular weight of 474.76 g/mol, XLogP of 5.68, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,8S,9R)-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-8,11-bis(methoxymethoxy)-2,6-dimethylundeca-1,6-dien-3-ol is sourced from PubChem (CID 11754676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).