[hexyl(dimethyl)silyl] octadecanoate

C26H54O2Si — CID 175031118

IUPAC[hexyl(dimethyl)silyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)CCCCCC
InChIInChI=1S/C26H54O2Si/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-29(3,4)25-23-10-8-6-2/h5-25H2,1-4H3
InChIKeyUQAUFNBMLSTNDG-UHFFFAOYSA-N
MW426.80 g/mol
LogP9.58
Rot. Bonds22

About [hexyl(dimethyl)silyl] octadecanoate

[hexyl(dimethyl)silyl] octadecanoate (PubChem CID 175031118) has the molecular formula C26H54O2Si and a molecular weight of 426.80 g/mol. Its IUPAC name is [hexyl(dimethyl)silyl] octadecanoate.

Molecular Properties

Compound Name[hexyl(dimethyl)silyl] octadecanoate
PubChem CID175031118
Molecular FormulaC26H54O2Si
Molecular Weight426.80 g/mol
Exact Mass426.39
IUPAC Name[hexyl(dimethyl)silyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)CCCCCC
InChIInChI=1S/C26H54O2Si/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-29(3,4)25-23-10-8-6-2/h5-25H2,1-4H3
InChIKeyUQAUFNBMLSTNDG-UHFFFAOYSA-N
XLogP9.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.80
LogP ≤ 59.58
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

[3-cyanopropyl(dimethyl)silyl] undecanoate
CID 91712847
[chloromethyl(dimethyl)silyl] octanoate
CID 554833
trimethylsilyl icosanoate
CID 521648
methanethioic S-acid;(methyl-nonyl-octadecanoyloxysilyl) octadecanoate
CID 175034063
[dimethyl(trimethylsilyl)silyl] heptanoate
CID 554818
(hexyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034042
(decyl-methoxy-octadecanoyloxysilyl) octadecanoate
CID 175034146
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588
[tert-butyl(dimethyl)silyl] heptacosanoate
CID 91752633
methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of [hexyl(dimethyl)silyl] octadecanoate?
The IUPAC name of [hexyl(dimethyl)silyl] octadecanoate (CID 175031118) is [hexyl(dimethyl)silyl] octadecanoate.
What is the SMILES notation for [hexyl(dimethyl)silyl] octadecanoate?
The canonical SMILES for [hexyl(dimethyl)silyl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)CCCCCC.
What is the InChIKey of [hexyl(dimethyl)silyl] octadecanoate?
The InChIKey is UQAUFNBMLSTNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O2Si/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-29(3,4)25-23-10-8-6-2/h5-25H2,1-4H3.
What are the key properties of [hexyl(dimethyl)silyl] octadecanoate?
[hexyl(dimethyl)silyl] octadecanoate has a molecular weight of 426.80 g/mol, XLogP of 9.58, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [hexyl(dimethyl)silyl] octadecanoate is sourced from PubChem (CID 175031118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).