trimethylsilyl docosanoate

C25H52O2Si — CID 522539

IUPACtrimethylsilyl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3
InChIKeyBJBBFOVJCKMBAL-UHFFFAOYSA-N
MW412.78 g/mol
LogP9.19
Rot. Bonds21

About trimethylsilyl docosanoate

trimethylsilyl docosanoate (PubChem CID 522539) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is trimethylsilyl docosanoate.

Molecular Properties

Compound Nametrimethylsilyl docosanoate
PubChem CID522539
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Nametrimethylsilyl docosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C
InChIInChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3
InChIKeyBJBBFOVJCKMBAL-UHFFFAOYSA-N
XLogP9.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 59.19
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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Related Compounds

Octadecanoate
CID 3033836
Sodium Stearate
CID 2724691
Hexadecanoic acid, ion(1-)
CID 504166
Potassium Stearate
CID 23673840
Lithium Stearate
CID 517357
CID 135369651
CID 135369651
CID 139057051
CID 139057051
Tributyltin laurate
CID 16683295
Tributyl(stearoyloxy)stannane
CID 16683280
Arachidate
CID 5461017
Octadecanoic acid, lead salt (1:?)
CID 62636
Potassium Behenate
CID 23663647

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl docosanoate?
The IUPAC name of trimethylsilyl docosanoate (CID 522539) is trimethylsilyl docosanoate.
What is the SMILES notation for trimethylsilyl docosanoate?
The canonical SMILES for trimethylsilyl docosanoate is CCCCCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl docosanoate?
The InChIKey is BJBBFOVJCKMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-28(2,3)4/h5-24H2,1-4H3.
What are the key properties of trimethylsilyl docosanoate?
trimethylsilyl docosanoate has a molecular weight of 412.78 g/mol, XLogP of 9.19, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl docosanoate is sourced from PubChem (CID 522539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).