methyl 5,14,15-tris(trimethylsilyloxy)icosanoate

C30H66O5Si3 — CID 91733313

IUPACmethyl 5,14,15-tris(trimethylsilyloxy)icosanoate
SMILESCCCCCC(O[Si](C)(C)C)C(CCCCCCCCC(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C30H66O5Si3/c1-12-13-18-24-28(34-37(6,7)8)29(35-38(9,10)11)25-20-17-15-14-16-19-22-27(33-36(3,4)5)23-21-26-30(31)32-2/h27-29H,12-26H2,1-11H3
InChIKeyHMUJFBFXZVUXLW-UHFFFAOYSA-N
MW591.11 g/mol
LogP9.69
Rot. Bonds24

About methyl 5,14,15-tris(trimethylsilyloxy)icosanoate

methyl 5,14,15-tris(trimethylsilyloxy)icosanoate (PubChem CID 91733313) has the molecular formula C30H66O5Si3 and a molecular weight of 591.11 g/mol. Its IUPAC name is methyl 5,14,15-tris(trimethylsilyloxy)icosanoate.

Molecular Properties

Compound Namemethyl 5,14,15-tris(trimethylsilyloxy)icosanoate
PubChem CID91733313
Molecular FormulaC30H66O5Si3
Molecular Weight591.11 g/mol
Exact Mass590.42
IUPAC Namemethyl 5,14,15-tris(trimethylsilyloxy)icosanoate
SMILESCCCCCC(O[Si](C)(C)C)C(CCCCCCCCC(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C30H66O5Si3/c1-12-13-18-24-28(34-37(6,7)8)29(35-38(9,10)11)25-20-17-15-14-16-19-22-27(33-36(3,4)5)23-21-26-30(31)32-2/h27-29H,12-26H2,1-11H3
InChIKeyHMUJFBFXZVUXLW-UHFFFAOYSA-N
XLogP9.69
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.11
LogP ≤ 59.69
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

methyl (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Methyl (5S,6S)-5,6-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-7-oxoheptanoate
CID 14463532
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
2,3-Bis[(trimethylsilyl)oxy]propyl dodecanoate
CID 628819
Octadecanoic acid, 9,10-bis[(trimethylsilyl)oxy]-, methyl ester
CID 553462
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
2,3-Bis[(trimethylsilyl)oxy]propyl octanoate
CID 552892

Frequently Asked Questions

What is the IUPAC name of methyl 5,14,15-tris(trimethylsilyloxy)icosanoate?
The IUPAC name of methyl 5,14,15-tris(trimethylsilyloxy)icosanoate (CID 91733313) is methyl 5,14,15-tris(trimethylsilyloxy)icosanoate.
What is the SMILES notation for methyl 5,14,15-tris(trimethylsilyloxy)icosanoate?
The canonical SMILES for methyl 5,14,15-tris(trimethylsilyloxy)icosanoate is CCCCCC(O[Si](C)(C)C)C(CCCCCCCCC(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of methyl 5,14,15-tris(trimethylsilyloxy)icosanoate?
The InChIKey is HMUJFBFXZVUXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O5Si3/c1-12-13-18-24-28(34-37(6,7)8)29(35-38(9,10)11)25-20-17-15-14-16-19-22-27(33-36(3,4)5)23-21-26-30(31)32-2/h27-29H,12-26H2,1-11H3.
What are the key properties of methyl 5,14,15-tris(trimethylsilyloxy)icosanoate?
methyl 5,14,15-tris(trimethylsilyloxy)icosanoate has a molecular weight of 591.11 g/mol, XLogP of 9.69, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,14,15-tris(trimethylsilyloxy)icosanoate is sourced from PubChem (CID 91733313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).