methyl 2-trimethylsilyloxydodecanoate

C16H34O3Si — CID 91748927

IUPACmethyl 2-trimethylsilyloxydodecanoate
SMILESCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C16H34O3Si/c1-6-7-8-9-10-11-12-13-14-15(16(17)18-2)19-20(3,4)5/h15H,6-14H2,1-5H3
InChIKeyPHPBKGTVQKCOSS-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.91
Rot. Bonds12

About methyl 2-trimethylsilyloxydodecanoate

methyl 2-trimethylsilyloxydodecanoate (PubChem CID 91748927) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxydodecanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxydodecanoate
PubChem CID91748927
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Namemethyl 2-trimethylsilyloxydodecanoate
SMILESCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C16H34O3Si/c1-6-7-8-9-10-11-12-13-14-15(16(17)18-2)19-20(3,4)5/h15H,6-14H2,1-5H3
InChIKeyPHPBKGTVQKCOSS-UHFFFAOYSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.91
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-trimethylsilyloxydodecanoate?
The IUPAC name of methyl 2-trimethylsilyloxydodecanoate (CID 91748927) is methyl 2-trimethylsilyloxydodecanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxydodecanoate?
The canonical SMILES for methyl 2-trimethylsilyloxydodecanoate is CCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxydodecanoate?
The InChIKey is PHPBKGTVQKCOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-6-7-8-9-10-11-12-13-14-15(16(17)18-2)19-20(3,4)5/h15H,6-14H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxydodecanoate?
methyl 2-trimethylsilyloxydodecanoate has a molecular weight of 302.53 g/mol, XLogP of 4.91, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxydodecanoate is sourced from PubChem (CID 91748927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).