(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal

C24H44O2Si2 — CID 134834031

About (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal

(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal (PubChem CID 134834031) has the molecular formula C24H44O2Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal.

Molecular Properties

• Compound Name: (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal
• PubChem CID: 134834031
• Molecular Formula: C24H44O2Si2
• Molecular Weight: 420.79 g/mol
• Exact Mass: 420.29
• IUPAC Name: (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal
• SMILES: CC[Si](CC)(CC)O[C@H]([C@H](C)/C=C(\C)C=O)[C@@H](C)C/C(C)=C/C#C[Si](C)(C)C
• InChI: InChI=1S/C24H44O2Si2/c1-11-28(12-2,13-3)26-24(23(7)18-21(5)19-25)22(6)17-20(4)15-14-16-27(8,9)10/h15,18-19,22-24H,11-13,17H2,1-10H3/b20-15+,21-18+/t22-,23+,24-/m0/s1
• InChIKey: CTMKUYUPMRALLN-GTAVIZBDSA-N
• XLogP: 7.01
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.79
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal?

The IUPAC name of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal (CID 134834031) is (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal.

What is the SMILES notation for (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal?

The canonical SMILES for (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal is CC[Si](CC)(CC)O[C@H]([C@H](C)/C=C(\C)C=O)[C@@H](C)C/C(C)=C/C#C[Si](C)(C)C.

What is the InChIKey of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal?

The InChIKey is CTMKUYUPMRALLN-GTAVIZBDSA-N. The full InChI is InChI=1S/C24H44O2Si2/c1-11-28(12-2,13-3)26-24(23(7)18-21(5)19-25)22(6)17-20(4)15-14-16-27(8,9)10/h15,18-19,22-24H,11-13,17H2,1-10H3/b20-15+,21-18+/t22-,23+,24-/m0/s1.

What are the key properties of (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal?

(2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal has a molecular weight of 420.79 g/mol, XLogP of 7.01, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4R,5S,6S,8E)-2,4,6,8-tetramethyl-5-triethylsilyloxy-11-trimethylsilylundeca-2,8-dien-10-ynal is sourced from PubChem (CID 134834031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).