methyl 2-trimethylsilyloxyhexadecanoate

C20H42O3Si — CID 524469

IUPACmethyl 2-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C20H42O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h19H,6-18H2,1-5H3
InChIKeyISYKTPYDGSSZAA-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.47
Rot. Bonds16

About methyl 2-trimethylsilyloxyhexadecanoate

methyl 2-trimethylsilyloxyhexadecanoate (PubChem CID 524469) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is methyl 2-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 2-trimethylsilyloxyhexadecanoate
PubChem CID524469
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Namemethyl 2-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C20H42O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h19H,6-18H2,1-5H3
InChIKeyISYKTPYDGSSZAA-UHFFFAOYSA-N
XLogP6.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.47
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

trimethylsilyl 2-trimethylsilyloxyoctanoate
CID 91730031
methyl 2-methoxyheptanoate
CID 87952097
methyl 2-(propylamino)octanoate
CID 60795997
dimethyl 2-dodecylpropanedioate
CID 158514957
dimethyl 2,3-dihexadecylbutanedioate
CID 141293335
methyl 2-undecyltridecanoate
CID 176610383
methyl (2S)-2-hydroxyheptanoate
CID 71444954
methyl 8-trimethylsilyloxyhexadecanoate
CID 14454572
methyl 12-trimethylsilyloxyoctadecanoate
CID 604384
methyl 4-trimethylsilyloxyhexadecanoate
CID 71410391
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
methyl 2-[chloro(dimethyl)silyl]undecanoate
CID 11514827

Frequently Asked Questions

What is the IUPAC name of methyl 2-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 2-trimethylsilyloxyhexadecanoate (CID 524469) is methyl 2-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 2-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 2-trimethylsilyloxyhexadecanoate is CCCCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-trimethylsilyloxyhexadecanoate?
The InChIKey is ISYKTPYDGSSZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(21)22-2)23-24(3,4)5/h19H,6-18H2,1-5H3.
What are the key properties of methyl 2-trimethylsilyloxyhexadecanoate?
methyl 2-trimethylsilyloxyhexadecanoate has a molecular weight of 358.64 g/mol, XLogP of 6.47, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 524469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).