methyl 9-trimethylsilyloxyhexadecanoate

C20H42O3Si — CID 14454566

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

About methyl 9-trimethylsilyloxyhexadecanoate

methyl 9-trimethylsilyloxyhexadecanoate (PubChem CID 14454566) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is methyl 9-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 9-trimethylsilyloxyhexadecanoate
PubChem CID14454566
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Namemethyl 9-trimethylsilyloxyhexadecanoate
SMILESCCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C20H42O3Si/c1-6-7-8-10-13-16-19(23-24(3,4)5)17-14-11-9-12-15-18-20(21)22-2/h19H,6-18H2,1-5H3
InChIKeyUTUYESXVIMJCCX-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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Frequently Asked Questions

What is the IUPAC name of methyl 9-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 9-trimethylsilyloxyhexadecanoate (CID 14454566) is methyl 9-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 9-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 9-trimethylsilyloxyhexadecanoate is CCCCCCCC(CCCCCCCC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl 9-trimethylsilyloxyhexadecanoate?
The InChIKey is UTUYESXVIMJCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-6-7-8-10-13-16-19(23-24(3,4)5)17-14-11-9-12-15-18-20(21)22-2/h19H,6-18H2,1-5H3.
What are the key properties of methyl 9-trimethylsilyloxyhexadecanoate?
methyl 9-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 9-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 14454566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).