bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate

C20H42O6Si4 — CID 177458360

IUPACbis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(\C=C(/CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H42O6Si4/c1-27(2,3)23-17(13-14-19(21)25-29(7,8)9)15-18(24-28(4,5)6)16-20(22)26-30(10,11)12/h13,15H,14,16H2,1-12H3/b17-13+,18-15+
InChIKeyGFRGNHGRYPTLKR-YUIMGRLZSA-N
MW490.89 g/mol
LogP5.99
Rot. Bonds11

About bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate

bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate (PubChem CID 177458360) has the molecular formula C20H42O6Si4 and a molecular weight of 490.89 g/mol. Its IUPAC name is bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate
PubChem CID177458360
Molecular FormulaC20H42O6Si4
Molecular Weight490.89 g/mol
Exact Mass490.21
IUPAC Namebis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate
SMILESC[Si](C)(C)OC(=O)C/C=C(\C=C(/CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H42O6Si4/c1-27(2,3)23-17(13-14-19(21)25-29(7,8)9)15-18(24-28(4,5)6)16-20(22)26-30(10,11)12/h13,15H,14,16H2,1-12H3/b17-13+,18-15+
InChIKeyGFRGNHGRYPTLKR-YUIMGRLZSA-N
XLogP5.99
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.89
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate 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 bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate?
The IUPAC name of bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate (CID 177458360) is bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate.
What is the SMILES notation for bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate?
The canonical SMILES for bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate is C[Si](C)(C)OC(=O)C/C=C(\C=C(/CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate?
The InChIKey is GFRGNHGRYPTLKR-YUIMGRLZSA-N. The full InChI is InChI=1S/C20H42O6Si4/c1-27(2,3)23-17(13-14-19(21)25-29(7,8)9)15-18(24-28(4,5)6)16-20(22)26-30(10,11)12/h13,15H,14,16H2,1-12H3/b17-13+,18-15+.
What are the key properties of bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate?
bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate has a molecular weight of 490.89 g/mol, XLogP of 5.99, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) (3E,5E)-3,5-bis(trimethylsilyloxy)octa-3,5-dienedioate is sourced from PubChem (CID 177458360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).