methyl 2-trimethylsilyloxypentacosanoate

C29H60O3Si — CID 524475

IUPACmethyl 2-trimethylsilyloxypentacosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C29H60O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29(30)31-2)32-33(3,4)5/h28H,6-27H2,1-5H3
InChIKeyGHKSQLUKQYMMLK-UHFFFAOYSA-N
MW484.88 g/mol
LogP9.98
Rot. Bonds25

About methyl 2-trimethylsilyloxypentacosanoate

methyl 2-trimethylsilyloxypentacosanoate (PubChem CID 524475) has the molecular formula C29H60O3Si and a molecular weight of 484.88 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxypentacosanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxypentacosanoate
PubChem CID524475
Molecular FormulaC29H60O3Si
Molecular Weight484.88 g/mol
Exact Mass484.43
IUPAC Namemethyl 2-trimethylsilyloxypentacosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C29H60O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29(30)31-2)32-33(3,4)5/h28H,6-27H2,1-5H3
InChIKeyGHKSQLUKQYMMLK-UHFFFAOYSA-N
XLogP9.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
methyl (2R)-2-methoxyhexadecanoate
CID 11781573
methyl (6S,7S,16S)-6,7,16-tris(trimethylsilyloxy)heptadecanoate
CID 162911043
Octadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524479
Methyl 2-methoxyhexadecanoate
CID 617760
Methyl methoxystearate
CID 20462390
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 methyl 2-trimethylsilyloxypentacosanoate?
The IUPAC name of methyl 2-trimethylsilyloxypentacosanoate (CID 524475) is methyl 2-trimethylsilyloxypentacosanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxypentacosanoate?
The canonical SMILES for methyl 2-trimethylsilyloxypentacosanoate is CCCCCCCCCCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxypentacosanoate?
The InChIKey is GHKSQLUKQYMMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29(30)31-2)32-33(3,4)5/h28H,6-27H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxypentacosanoate?
methyl 2-trimethylsilyloxypentacosanoate has a molecular weight of 484.88 g/mol, XLogP of 9.98, 25 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxypentacosanoate is sourced from PubChem (CID 524475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).