trimethylsilylmethyl dodecanoate

C16H34O2Si — CID 91723168

IUPACtrimethylsilylmethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-5-6-7-8-9-10-11-12-13-14-16(17)18-15-19(2,3)4/h5-15H2,1-4H3
InChIKeyXOXPQNRSOQANOU-UHFFFAOYSA-N
MW286.53 g/mol
LogP5.33
Rot. Bonds12

About trimethylsilylmethyl dodecanoate

trimethylsilylmethyl dodecanoate (PubChem CID 91723168) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is trimethylsilylmethyl dodecanoate.

Molecular Properties

Compound Nametrimethylsilylmethyl dodecanoate
PubChem CID91723168
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Nametrimethylsilylmethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[Si](C)(C)C
InChIInChI=1S/C16H34O2Si/c1-5-6-7-8-9-10-11-12-13-14-16(17)18-15-19(2,3)4/h5-15H2,1-4H3
InChIKeyXOXPQNRSOQANOU-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.33
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 trimethylsilylmethyl dodecanoate?
The IUPAC name of trimethylsilylmethyl dodecanoate (CID 91723168) is trimethylsilylmethyl dodecanoate.
What is the SMILES notation for trimethylsilylmethyl dodecanoate?
The canonical SMILES for trimethylsilylmethyl dodecanoate is CCCCCCCCCCCC(=O)OC[Si](C)(C)C.
What is the InChIKey of trimethylsilylmethyl dodecanoate?
The InChIKey is XOXPQNRSOQANOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-5-6-7-8-9-10-11-12-13-14-16(17)18-15-19(2,3)4/h5-15H2,1-4H3.
What are the key properties of trimethylsilylmethyl dodecanoate?
trimethylsilylmethyl dodecanoate has a molecular weight of 286.53 g/mol, XLogP of 5.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylmethyl dodecanoate is sourced from PubChem (CID 91723168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).