(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal

C24H44O2Si2 — CID 134979332

IUPAC(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal
SMILESC/C(C=O)=C\C(C)=C\C(C)=C\[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2Si2/c1-19(16-21(3)18-25)15-20(2)17-22(4)23(13-14-27(8,9)10)26-28(11,12)24(5,6)7/h13-18,22-23H,1-12H3/b14-13+,19-15+,20-17+,21-16+/t22-,23-/m1/s1
InChIKeyYBAQEMDUAWLBQA-PCPNUJMDSA-N
MW420.79 g/mol
LogP7.48
Rot. Bonds9

About (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal

(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal (PubChem CID 134979332) has the molecular formula C24H44O2Si2 and a molecular weight of 420.79 g/mol. Its IUPAC name is (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal.

Molecular Properties

Compound Name(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal
PubChem CID134979332
Molecular FormulaC24H44O2Si2
Molecular Weight420.79 g/mol
Exact Mass420.29
IUPAC Name(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal
SMILESC/C(C=O)=C\C(C)=C\C(C)=C\[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H44O2Si2/c1-19(16-21(3)18-25)15-20(2)17-22(4)23(13-14-27(8,9)10)26-28(11,12)24(5,6)7/h13-18,22-23H,1-12H3/b14-13+,19-15+,20-17+,21-16+/t22-,23-/m1/s1
InChIKeyYBAQEMDUAWLBQA-PCPNUJMDSA-N
XLogP7.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.79
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal?
The IUPAC name of (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal (CID 134979332) is (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal.
What is the SMILES notation for (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal?
The canonical SMILES for (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal is C/C(C=O)=C\C(C)=C\C(C)=C\[C@@H](C)[C@@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal?
The InChIKey is YBAQEMDUAWLBQA-PCPNUJMDSA-N. The full InChI is InChI=1S/C24H44O2Si2/c1-19(16-21(3)18-25)15-20(2)17-22(4)23(13-14-27(8,9)10)26-28(11,12)24(5,6)7/h13-18,22-23H,1-12H3/b14-13+,19-15+,20-17+,21-16+/t22-,23-/m1/s1.
What are the key properties of (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal?
(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal has a molecular weight of 420.79 g/mol, XLogP of 7.48, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal is sourced from PubChem (CID 134979332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).