(10-hydroxy-11-triethylsilyloxyundecyl) benzoate

C24H42O4Si — CID 102164878

IUPAC(10-hydroxy-11-triethylsilyloxyundecyl) benzoate
SMILESCC[Si](CC)(CC)OCC(O)CCCCCCCCCOC(=O)c1ccccc1
InChIInChI=1S/C24H42O4Si/c1-4-29(5-2,6-3)28-21-23(25)19-15-10-8-7-9-11-16-20-27-24(26)22-17-13-12-14-18-22/h12-14,17-18,23,25H,4-11,15-16,19-21H2,1-3H3
InChIKeyFMGLGTZLSGEGSB-UHFFFAOYSA-N
MW422.68 g/mol
LogP6.35
Rot. Bonds17

About (10-hydroxy-11-triethylsilyloxyundecyl) benzoate

(10-hydroxy-11-triethylsilyloxyundecyl) benzoate (PubChem CID 102164878) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is (10-hydroxy-11-triethylsilyloxyundecyl) benzoate.

Molecular Properties

Compound Name(10-hydroxy-11-triethylsilyloxyundecyl) benzoate
PubChem CID102164878
Molecular FormulaC24H42O4Si
Molecular Weight422.68 g/mol
Exact Mass422.29
IUPAC Name(10-hydroxy-11-triethylsilyloxyundecyl) benzoate
SMILESCC[Si](CC)(CC)OCC(O)CCCCCCCCCOC(=O)c1ccccc1
InChIInChI=1S/C24H42O4Si/c1-4-29(5-2,6-3)28-21-23(25)19-15-10-8-7-9-11-16-20-27-24(26)22-17-13-12-14-18-22/h12-14,17-18,23,25H,4-11,15-16,19-21H2,1-3H3
InChIKeyFMGLGTZLSGEGSB-UHFFFAOYSA-N
XLogP6.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
CID 175572844
14-methylpentadecyl benzoate
CID 141181298
5-methyldecyl benzoate
CID 100952637
hexyl benzoate
CID 23235
CID 172820816
CID 172820816
butyl benzoate;hexyl benzoate
CID 22163024
CID 162308343
CID 162308343
potassium;hexadecyl benzoate;hydride
CID 174392583
methanol;pentyl benzoate
CID 175222419
4-methylheptyl benzoate
CID 163114376
(111C)butyl benzoate
CID 11994383
3-hexylundecyl benzoate
CID 134363944

Frequently Asked Questions

What is the IUPAC name of (10-hydroxy-11-triethylsilyloxyundecyl) benzoate?
The IUPAC name of (10-hydroxy-11-triethylsilyloxyundecyl) benzoate (CID 102164878) is (10-hydroxy-11-triethylsilyloxyundecyl) benzoate.
What is the SMILES notation for (10-hydroxy-11-triethylsilyloxyundecyl) benzoate?
The canonical SMILES for (10-hydroxy-11-triethylsilyloxyundecyl) benzoate is CC[Si](CC)(CC)OCC(O)CCCCCCCCCOC(=O)c1ccccc1.
What is the InChIKey of (10-hydroxy-11-triethylsilyloxyundecyl) benzoate?
The InChIKey is FMGLGTZLSGEGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O4Si/c1-4-29(5-2,6-3)28-21-23(25)19-15-10-8-7-9-11-16-20-27-24(26)22-17-13-12-14-18-22/h12-14,17-18,23,25H,4-11,15-16,19-21H2,1-3H3.
What are the key properties of (10-hydroxy-11-triethylsilyloxyundecyl) benzoate?
(10-hydroxy-11-triethylsilyloxyundecyl) benzoate has a molecular weight of 422.68 g/mol, XLogP of 6.35, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-hydroxy-11-triethylsilyloxyundecyl) benzoate is sourced from PubChem (CID 102164878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).