methyl 16-trimethylsilyloxyhexadecanoate

C20H42O3Si — CID 554929

IUPACmethyl 16-trimethylsilyloxyhexadecanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C20H42O3Si/c1-22-20(21)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23-24(2,3)4/h5-19H2,1-4H3
InChIKeyXJKMNMXZRQVIAK-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.47
Rot. Bonds17

About methyl 16-trimethylsilyloxyhexadecanoate

methyl 16-trimethylsilyloxyhexadecanoate (PubChem CID 554929) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is methyl 16-trimethylsilyloxyhexadecanoate.

Molecular Properties

Compound Namemethyl 16-trimethylsilyloxyhexadecanoate
PubChem CID554929
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Namemethyl 16-trimethylsilyloxyhexadecanoate
SMILESCOC(=O)CCCCCCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C20H42O3Si/c1-22-20(21)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23-24(2,3)4/h5-19H2,1-4H3
InChIKeyXJKMNMXZRQVIAK-UHFFFAOYSA-N
XLogP6.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
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'}

Analyze methyl 16-trimethylsilyloxyhexadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 16-trimethylsilyloxyhexadecanoate?
The IUPAC name of methyl 16-trimethylsilyloxyhexadecanoate (CID 554929) is methyl 16-trimethylsilyloxyhexadecanoate.
What is the SMILES notation for methyl 16-trimethylsilyloxyhexadecanoate?
The canonical SMILES for methyl 16-trimethylsilyloxyhexadecanoate is COC(=O)CCCCCCCCCCCCCCCO[Si](C)(C)C.
What is the InChIKey of methyl 16-trimethylsilyloxyhexadecanoate?
The InChIKey is XJKMNMXZRQVIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-22-20(21)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-23-24(2,3)4/h5-19H2,1-4H3.
What are the key properties of methyl 16-trimethylsilyloxyhexadecanoate?
methyl 16-trimethylsilyloxyhexadecanoate has a molecular weight of 358.64 g/mol, XLogP of 6.47, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 16-trimethylsilyloxyhexadecanoate is sourced from PubChem (CID 554929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).