bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate

C21H46O5Si3 — CID 528647

IUPACbis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H46O5Si3/c1-27(2,3)24-19(18-21(23)26-29(7,8)9)16-14-12-10-11-13-15-17-20(22)25-28(4,5)6/h19H,10-18H2,1-9H3
InChIKeyCEEATCPCGFSGDV-UHFFFAOYSA-N
MW462.85 g/mol
LogP6.47
Rot. Bonds15

About bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate

bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate (PubChem CID 528647) has the molecular formula C21H46O5Si3 and a molecular weight of 462.85 g/mol. Its IUPAC name is bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate.

Molecular Properties

Compound Namebis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate
PubChem CID528647
Molecular FormulaC21H46O5Si3
Molecular Weight462.85 g/mol
Exact Mass462.27
IUPAC Namebis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate
SMILESC[Si](C)(C)OC(=O)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C21H46O5Si3/c1-27(2,3)24-19(18-21(23)26-29(7,8)9)16-14-12-10-11-13-15-17-20(22)25-28(4,5)6/h19H,10-18H2,1-9H3
InChIKeyCEEATCPCGFSGDV-UHFFFAOYSA-N
XLogP6.47
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 56.47
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

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-trimethylsilyloxydodecanedioate?
The IUPAC name of bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate (CID 528647) is bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate.
What is the SMILES notation for bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate?
The canonical SMILES for bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate is C[Si](C)(C)OC(=O)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate?
The InChIKey is CEEATCPCGFSGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46O5Si3/c1-27(2,3)24-19(18-21(23)26-29(7,8)9)16-14-12-10-11-13-15-17-20(22)25-28(4,5)6/h19H,10-18H2,1-9H3.
What are the key properties of bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate?
bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate has a molecular weight of 462.85 g/mol, XLogP of 6.47, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) 3-trimethylsilyloxydodecanedioate is sourced from PubChem (CID 528647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).