bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate

C19H42O5Si3 — CID 553828

IUPACbis(trimethylsilyl) 2-trimethylsilyloxydecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H42O5Si3/c1-25(2,3)22-17(19(21)24-27(7,8)9)15-13-11-10-12-14-16-18(20)23-26(4,5)6/h17H,10-16H2,1-9H3
InChIKeyASPGPTJHUAAITH-UHFFFAOYSA-N
MW434.80 g/mol
LogP5.69
Rot. Bonds13

About bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate

bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate (PubChem CID 553828) has the molecular formula C19H42O5Si3 and a molecular weight of 434.80 g/mol. Its IUPAC name is bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 2-trimethylsilyloxydecanedioate
PubChem CID553828
Molecular FormulaC19H42O5Si3
Molecular Weight434.80 g/mol
Exact Mass434.23
IUPAC Namebis(trimethylsilyl) 2-trimethylsilyloxydecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C19H42O5Si3/c1-25(2,3)22-17(19(21)24-27(7,8)9)15-13-11-10-12-14-16-18(20)23-26(4,5)6/h17H,10-16H2,1-9H3
InChIKeyASPGPTJHUAAITH-UHFFFAOYSA-N
XLogP5.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.80
LogP ≤ 55.69
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'}

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Related Compounds

Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Bis(trimethylsilyl) sebacate
CID 519558
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
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

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate?
The IUPAC name of bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate (CID 553828) is bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate.
What is the SMILES notation for bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate?
The canonical SMILES for bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate is C[Si](C)(C)OC(=O)CCCCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate?
The InChIKey is ASPGPTJHUAAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O5Si3/c1-25(2,3)22-17(19(21)24-27(7,8)9)15-13-11-10-12-14-16-18(20)23-26(4,5)6/h17H,10-16H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate?
bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate has a molecular weight of 434.80 g/mol, XLogP of 5.69, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 2-trimethylsilyloxydecanedioate is sourced from PubChem (CID 553828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).