bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate

C17H38O5Si3 — CID 528648

IUPACbis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
SMILESC[Si](C)(C)OC(=O)CCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O5Si3/c1-23(2,3)20-15(14-17(19)22-25(7,8)9)12-10-11-13-16(18)21-24(4,5)6/h15H,10-14H2,1-9H3
InChIKeyGGRHSVIGEVXSML-UHFFFAOYSA-N
MW406.74 g/mol
LogP4.91
Rot. Bonds11

About bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate

bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate (PubChem CID 528648) has the molecular formula C17H38O5Si3 and a molecular weight of 406.74 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
PubChem CID528648
Molecular FormulaC17H38O5Si3
Molecular Weight406.74 g/mol
Exact Mass406.20
IUPAC Namebis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate
SMILESC[Si](C)(C)OC(=O)CCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H38O5Si3/c1-23(2,3)20-15(14-17(19)22-25(7,8)9)12-10-11-13-16(18)21-24(4,5)6/h15H,10-14H2,1-9H3
InChIKeyGGRHSVIGEVXSML-UHFFFAOYSA-N
XLogP4.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.74
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate with MolForge

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

Launch Full Analysis

Related Compounds

Bis(trimethylsilyl) sebacate
CID 519558
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Bis(trimethylsilyl) undecanedioate
CID 552527
Dodecanedioic acid, bis(trimethylsilyl) ester
CID 519943
1,14-Tetradecandioic acid, bis(trimethylsilyl) ester
CID 523706
2,3-Bis[(trimethylsilyl)oxy]propyl icosanoate
CID 537899
2,3-Bis(trimethylsilyloxy)propyl hexadecanoate
CID 552033
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-1-[[(trimethylsilyl)oxy]methyl]ethyl ester
CID 552917
2,3-Bis[(trimethylsilyl)oxy]propyl stearate
CID 553936
1,2-Dipalmitoyl-3-trimethylsilyl-glycerol
CID 628580
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
1,3-Dipalmitin trimethylsilyl ether
CID 632872

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate?
The IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate (CID 528648) is bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate is C[Si](C)(C)OC(=O)CCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate?
The InChIKey is GGRHSVIGEVXSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O5Si3/c1-23(2,3)20-15(14-17(19)22-25(7,8)9)12-10-11-13-16(18)21-24(4,5)6/h15H,10-14H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate?
bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate has a molecular weight of 406.74 g/mol, XLogP of 4.91, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-trimethylsilyloxyoctanedioate is sourced from PubChem (CID 528648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).