methyl 9-trimethylsilyloxyoctadecanoate

C22H46O3Si — CID 14454579

IUPACmethyl 9-trimethylsilyloxyoctadecanoate
SMILESCCCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H46O3Si/c1-6-7-8-9-10-12-15-18-21(25-26(3,4)5)19-16-13-11-14-17-20-22(23)24-2/h21H,6-20H2,1-5H3
InChIKeyCIQUEFNTFGHJST-UHFFFAOYSA-N
MW386.69 g/mol
LogP7.25
Rot. Bonds18

About methyl 9-trimethylsilyloxyoctadecanoate

methyl 9-trimethylsilyloxyoctadecanoate (PubChem CID 14454579) has the molecular formula C22H46O3Si and a molecular weight of 386.69 g/mol. Its IUPAC name is methyl 9-trimethylsilyloxyoctadecanoate.

Molecular Properties

Compound Namemethyl 9-trimethylsilyloxyoctadecanoate
PubChem CID14454579
Molecular FormulaC22H46O3Si
Molecular Weight386.69 g/mol
Exact Mass386.32
IUPAC Namemethyl 9-trimethylsilyloxyoctadecanoate
SMILESCCCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C22H46O3Si/c1-6-7-8-9-10-12-15-18-21(25-26(3,4)5)19-16-13-11-14-17-20-22(23)24-2/h21H,6-20H2,1-5H3
InChIKeyCIQUEFNTFGHJST-UHFFFAOYSA-N
XLogP7.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 57.25
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

Isopropyl Myristate
CID 8042
Isopropyl Palmitate
CID 8907
Isopropyl Stearate
CID 8162
Isopropyl Behenate
CID 3015300
Isopropyl Arachidate
CID 3015298
Trimethylsilyl stearate
CID 87777
Tetradecyleicosyl Stearate
CID 22287983
Npc119807
CID 519592
Hexadecanic acid, trimethylsilyl ester
CID 521638
Npc267584
CID 521640
Trimethylsilyl tridecanoate
CID 519342
n-Pentanoic acid, trimethylsilyl ester
CID 523679

Frequently Asked Questions

What is the IUPAC name of methyl 9-trimethylsilyloxyoctadecanoate?
The IUPAC name of methyl 9-trimethylsilyloxyoctadecanoate (CID 14454579) is methyl 9-trimethylsilyloxyoctadecanoate.
What is the SMILES notation for methyl 9-trimethylsilyloxyoctadecanoate?
The canonical SMILES for methyl 9-trimethylsilyloxyoctadecanoate is CCCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 9-trimethylsilyloxyoctadecanoate?
The InChIKey is CIQUEFNTFGHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O3Si/c1-6-7-8-9-10-12-15-18-21(25-26(3,4)5)19-16-13-11-14-17-20-22(23)24-2/h21H,6-20H2,1-5H3.
What are the key properties of methyl 9-trimethylsilyloxyoctadecanoate?
methyl 9-trimethylsilyloxyoctadecanoate has a molecular weight of 386.69 g/mol, XLogP of 7.25, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-trimethylsilyloxyoctadecanoate is sourced from PubChem (CID 14454579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).