trimethylsilyl 16-methyloctadecanoate

C22H46O2Si — CID 91747648

IUPACtrimethylsilyl 16-methyloctadecanoate
SMILESCCC(C)CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-6-21(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)24-25(3,4)5/h21H,6-20H2,1-5H3
InChIKeyHNKZWPWPYTXLNR-UHFFFAOYSA-N
MW370.69 g/mol
LogP7.87
Rot. Bonds17

About trimethylsilyl 16-methyloctadecanoate

trimethylsilyl 16-methyloctadecanoate (PubChem CID 91747648) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is trimethylsilyl 16-methyloctadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 16-methyloctadecanoate
PubChem CID91747648
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Nametrimethylsilyl 16-methyloctadecanoate
SMILESCCC(C)CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-6-21(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)24-25(3,4)5/h21H,6-20H2,1-5H3
InChIKeyHNKZWPWPYTXLNR-UHFFFAOYSA-N
XLogP7.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethylsilyl 16-methyloctadecanoate?
The IUPAC name of trimethylsilyl 16-methyloctadecanoate (CID 91747648) is trimethylsilyl 16-methyloctadecanoate.
What is the SMILES notation for trimethylsilyl 16-methyloctadecanoate?
The canonical SMILES for trimethylsilyl 16-methyloctadecanoate is CCC(C)CCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 16-methyloctadecanoate?
The InChIKey is HNKZWPWPYTXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-6-21(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)24-25(3,4)5/h21H,6-20H2,1-5H3.
What are the key properties of trimethylsilyl 16-methyloctadecanoate?
trimethylsilyl 16-methyloctadecanoate has a molecular weight of 370.69 g/mol, XLogP of 7.87, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 16-methyloctadecanoate is sourced from PubChem (CID 91747648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).