methyl 2-trimethylsilyloxytetradecanoate

C18H38O3Si — CID 553675

IUPACmethyl 2-trimethylsilyloxytetradecanoate
SMILESCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C18H38O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20-2)21-22(3,4)5/h17H,6-16H2,1-5H3
InChIKeyMTVNRDDQMNKJFO-UHFFFAOYSA-N
MW330.59 g/mol
LogP5.69
Rot. Bonds14

About methyl 2-trimethylsilyloxytetradecanoate

methyl 2-trimethylsilyloxytetradecanoate (PubChem CID 553675) has the molecular formula C18H38O3Si and a molecular weight of 330.59 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxytetradecanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxytetradecanoate
PubChem CID553675
Molecular FormulaC18H38O3Si
Molecular Weight330.59 g/mol
Exact Mass330.26
IUPAC Namemethyl 2-trimethylsilyloxytetradecanoate
SMILESCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C18H38O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20-2)21-22(3,4)5/h17H,6-16H2,1-5H3
InChIKeyMTVNRDDQMNKJFO-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.59
LogP ≤ 55.69
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-trimethylsilyloxytetradecanoate?
The IUPAC name of methyl 2-trimethylsilyloxytetradecanoate (CID 553675) is methyl 2-trimethylsilyloxytetradecanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxytetradecanoate?
The canonical SMILES for methyl 2-trimethylsilyloxytetradecanoate is CCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxytetradecanoate?
The InChIKey is MTVNRDDQMNKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20-2)21-22(3,4)5/h17H,6-16H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxytetradecanoate?
methyl 2-trimethylsilyloxytetradecanoate has a molecular weight of 330.59 g/mol, XLogP of 5.69, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxytetradecanoate is sourced from PubChem (CID 553675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).