methyl 10-oxo-16-trimethylsilyloxyhexadecanoate

C20H40O4Si — CID 91750153

IUPACmethyl 10-oxo-16-trimethylsilyloxyhexadecanoate
SMILESCOC(=O)CCCCCCCCC(=O)CCCCCCO[Si](C)(C)C
InChIInChI=1S/C20H40O4Si/c1-23-20(22)17-13-8-6-5-7-11-15-19(21)16-12-9-10-14-18-24-25(2,3)4/h5-18H2,1-4H3
InChIKeyDYTJOTHQRVJQRH-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.65
Rot. Bonds17

About methyl 10-oxo-16-trimethylsilyloxyhexadecanoate

methyl 10-oxo-16-trimethylsilyloxyhexadecanoate (PubChem CID 91750153) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl 10-oxo-16-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 10-oxo-16-trimethylsilyloxyhexadecanoate
PubChem CID91750153
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Namemethyl 10-oxo-16-trimethylsilyloxyhexadecanoate
SMILESCOC(=O)CCCCCCCCC(=O)CCCCCCO[Si](C)(C)C
InChIInChI=1S/C20H40O4Si/c1-23-20(22)17-13-8-6-5-7-11-15-19(21)16-12-9-10-14-18-24-25(2,3)4/h5-18H2,1-4H3
InChIKeyDYTJOTHQRVJQRH-UHFFFAOYSA-N
XLogP5.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 stearate
CID 87777
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Trimethylsilyl tridecanoate
CID 519342
n-Pentanoic acid, trimethylsilyl ester
CID 523679
Hexadecanoic acid, 2-[(trimethylsilyl)oxy]-, methyl ester
CID 524469
Bis(trimethylsilyl) sebacate
CID 519558
Trimethylsilyl tetracosanoate
CID 522540
Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
Bis(trimethylsilyl) azelaate
CID 519492
Trimethylsilyl heptadecanoate
CID 521635
Arachidic acid, trimethylsilyl ester
CID 521648

Frequently Asked Questions

What is the IUPAC name of methyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 10-oxo-16-trimethylsilyloxyhexadecanoate (CID 91750153) is methyl 10-oxo-16-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 10-oxo-16-trimethylsilyloxyhexadecanoate is COC(=O)CCCCCCCCC(=O)CCCCCCO[Si](C)(C)C.
What is the InChIKey of methyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
The InChIKey is DYTJOTHQRVJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-23-20(22)17-13-8-6-5-7-11-15-19(21)16-12-9-10-14-18-24-25(2,3)4/h5-18H2,1-4H3.
What are the key properties of methyl 10-oxo-16-trimethylsilyloxyhexadecanoate?
methyl 10-oxo-16-trimethylsilyloxyhexadecanoate has a molecular weight of 372.62 g/mol, XLogP of 5.65, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-oxo-16-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 91750153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).