methyl 14-methyl-3-trimethylsilyloxyhexadecanoate

C21H44O3Si — CID 91743754

IUPACmethyl 14-methyl-3-trimethylsilyloxyhexadecanoate
SMILESCCC(C)CCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C21H44O3Si/c1-7-19(2)16-14-12-10-8-9-11-13-15-17-20(18-21(22)23-3)24-25(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyCTDRMHWRJOXJRV-UHFFFAOYSA-N
MW372.67 g/mol
LogP6.72
Rot. Bonds16

About methyl 14-methyl-3-trimethylsilyloxyhexadecanoate

methyl 14-methyl-3-trimethylsilyloxyhexadecanoate (PubChem CID 91743754) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is methyl 14-methyl-3-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 14-methyl-3-trimethylsilyloxyhexadecanoate
PubChem CID91743754
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Namemethyl 14-methyl-3-trimethylsilyloxyhexadecanoate
SMILESCCC(C)CCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C21H44O3Si/c1-7-19(2)16-14-12-10-8-9-11-13-15-17-20(18-21(22)23-3)24-25(4,5)6/h19-20H,7-18H2,1-6H3
InChIKeyCTDRMHWRJOXJRV-UHFFFAOYSA-N
XLogP6.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.72
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 3-trimethylsilyloxydecanoate
CID 553117
(3S,4S)-4-[(S)-2-(tert-butyldimethylsiloxy)tridecyl]-3-hexyl-2-oxetanone
CID 11583592
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxydodecanoate
CID 46895477
10-Methyl-9-methoxy-octadecanoic acid methyl ester
CID 89419592
Trimethylsilyl 3,7,11,15-tetramethylhexadecanoate
CID 594295
Methyl 3-acetyloxy-16-methylheptadecanoate
CID 342515
Trimethylsilyl 10-methyldodecanoate
CID 526083
Trimethylsilyl 12-methyltetradecanoate
CID 526094
16-Methyloctadecanoic acid trimethylsilylester
CID 91747648
3-Hydroxy-arachidic, methyl ester, 3-tBDMS ether
CID 526802
3-Trimethylsiloxymyristic acid, trimethylsilyl ester
CID 553557
(3R,5S,6S)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]-3,5-dimethyloxan-2-one
CID 10615212

Frequently Asked Questions

What is the IUPAC name of methyl 14-methyl-3-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 14-methyl-3-trimethylsilyloxyhexadecanoate (CID 91743754) is methyl 14-methyl-3-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 14-methyl-3-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 14-methyl-3-trimethylsilyloxyhexadecanoate is CCC(C)CCCCCCCCCCC(CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 14-methyl-3-trimethylsilyloxyhexadecanoate?
The InChIKey is CTDRMHWRJOXJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-7-19(2)16-14-12-10-8-9-11-13-15-17-20(18-21(22)23-3)24-25(4,5)6/h19-20H,7-18H2,1-6H3.
What are the key properties of methyl 14-methyl-3-trimethylsilyloxyhexadecanoate?
methyl 14-methyl-3-trimethylsilyloxyhexadecanoate has a molecular weight of 372.67 g/mol, XLogP of 6.72, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 14-methyl-3-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 91743754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).