methyl (5R)-5-trimethylsilyloxyoctacosanoate

C32H66O3Si — CID 162871788

IUPACmethyl (5R)-5-trimethylsilyloxyoctacosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C32H66O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(35-36(3,4)5)29-27-30-32(33)34-2/h31H,6-30H2,1-5H3/t31-/m1/s1
InChIKeyMLJDUZQZKNJLMX-WJOKGBTCSA-N
MW526.96 g/mol
LogP11.15
Rot. Bonds28

About methyl (5R)-5-trimethylsilyloxyoctacosanoate

methyl (5R)-5-trimethylsilyloxyoctacosanoate (PubChem CID 162871788) has the molecular formula C32H66O3Si and a molecular weight of 526.96 g/mol. Its IUPAC name is methyl (5R)-5-trimethylsilyloxyoctacosanoate.

Molecular Properties

Compound Namemethyl (5R)-5-trimethylsilyloxyoctacosanoate
PubChem CID162871788
Molecular FormulaC32H66O3Si
Molecular Weight526.96 g/mol
Exact Mass526.48
IUPAC Namemethyl (5R)-5-trimethylsilyloxyoctacosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C32H66O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(35-36(3,4)5)29-27-30-32(33)34-2/h31H,6-30H2,1-5H3/t31-/m1/s1
InChIKeyMLJDUZQZKNJLMX-WJOKGBTCSA-N
XLogP11.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.96
LogP ≤ 511.15
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

methyl (5R)-5-methoxypentacosanoate
CID 162867002
methyl (5R)-5-methoxynonacosanoate
CID 162879608
methyl (5R)-5-methoxyheptacosanoate
CID 162979714
methyl (5R)-5-methoxytriacontanoate
CID 163033188
methyl (5R)-5-methoxyoctacosanoate
CID 163034919
methyl (5R)-5-methoxyhexacosanoate
CID 163037280
methyl (5R)-5-methoxytetracosanoate
CID 163040349
Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-trimethylsilyloxyoctacosanoate?
The IUPAC name of methyl (5R)-5-trimethylsilyloxyoctacosanoate (CID 162871788) is methyl (5R)-5-trimethylsilyloxyoctacosanoate.
What is the SMILES notation for methyl (5R)-5-trimethylsilyloxyoctacosanoate?
The canonical SMILES for methyl (5R)-5-trimethylsilyloxyoctacosanoate is CCCCCCCCCCCCCCCCCCCCCCC[C@H](CCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl (5R)-5-trimethylsilyloxyoctacosanoate?
The InChIKey is MLJDUZQZKNJLMX-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H66O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31(35-36(3,4)5)29-27-30-32(33)34-2/h31H,6-30H2,1-5H3/t31-/m1/s1.
What are the key properties of methyl (5R)-5-trimethylsilyloxyoctacosanoate?
methyl (5R)-5-trimethylsilyloxyoctacosanoate has a molecular weight of 526.96 g/mol, XLogP of 11.15, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-trimethylsilyloxyoctacosanoate is sourced from PubChem (CID 162871788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).