trimethylsilyl dodecanoate

C15H32O2Si — CID 521640

IUPACtrimethylsilyl dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h5-14H2,1-4H3
InChIKeyRHDZBWSXEZTMPK-UHFFFAOYSA-N
MW272.50 g/mol
LogP5.29
Rot. Bonds11

About trimethylsilyl dodecanoate

trimethylsilyl dodecanoate (PubChem CID 521640) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is trimethylsilyl dodecanoate.

Molecular Properties

Compound Nametrimethylsilyl dodecanoate
PubChem CID521640
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Nametrimethylsilyl dodecanoate
SMILESCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h5-14H2,1-4H3
InChIKeyRHDZBWSXEZTMPK-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.29
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 dodecanoate?
The IUPAC name of trimethylsilyl dodecanoate (CID 521640) is trimethylsilyl dodecanoate.
What is the SMILES notation for trimethylsilyl dodecanoate?
The canonical SMILES for trimethylsilyl dodecanoate is CCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl dodecanoate?
The InChIKey is RHDZBWSXEZTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-12-13-14-15(16)17-18(2,3)4/h5-14H2,1-4H3.
What are the key properties of trimethylsilyl dodecanoate?
trimethylsilyl dodecanoate has a molecular weight of 272.50 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl dodecanoate is sourced from PubChem (CID 521640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).