[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate

C27H56O4Si — CID 46704430

IUPAC[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[Si](CC)(CC)CC
InChIInChI=1S/C27H56O4Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-24-26(28)25-31-32(6-2,7-3)8-4/h26,28H,5-25H2,1-4H3/t26-/m1/s1
InChIKeyUABXWEAJGNAENY-AREMUKBSSA-N
MW472.83 g/mol
LogP8.17
Rot. Bonds24

About [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate

[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate (PubChem CID 46704430) has the molecular formula C27H56O4Si and a molecular weight of 472.83 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate
PubChem CID46704430
Molecular FormulaC27H56O4Si
Molecular Weight472.83 g/mol
Exact Mass472.39
IUPAC Name[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[Si](CC)(CC)CC
InChIInChI=1S/C27H56O4Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-24-26(28)25-31-32(6-2,7-3)8-4/h26,28H,5-25H2,1-4H3/t26-/m1/s1
InChIKeyUABXWEAJGNAENY-AREMUKBSSA-N
XLogP8.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.83
LogP ≤ 58.17
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

Monostearin
CID 24699
Propylene Glycol Monostearate
CID 14878
Glyceryl Myristate
CID 79050
2-Palmitoylglycerol
CID 123409
1,3-Dipalmitin
CID 68149
1-Monopalmitin
CID 14900
1-Palmitoyl-sn-glycerol
CID 3084463
Glyceryl Arachidate
CID 3246944
Glyceryl 1,3-distearate
CID 101269
1,2-Dipalmitoyl-sn-glycerol
CID 644078
1,2-Didecanoylglycerol
CID 1321
Glyceryl 1,2-dicaprylate
CID 1323

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate?
The IUPAC name of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate (CID 46704430) is [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate?
The canonical SMILES for [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate is CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[Si](CC)(CC)CC.
What is the InChIKey of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate?
The InChIKey is UABXWEAJGNAENY-AREMUKBSSA-N. The full InChI is InChI=1S/C27H56O4Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(29)30-24-26(28)25-31-32(6-2,7-3)8-4/h26,28H,5-25H2,1-4H3/t26-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate?
[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate has a molecular weight of 472.83 g/mol, XLogP of 8.17, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octadecanoate is sourced from PubChem (CID 46704430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).