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

C17H36O4Si — CID 121225617

IUPAC[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate
SMILESCCCCCCCC(=O)OC[C@@H](O)CO[Si](CC)(CC)CC
InChIInChI=1S/C17H36O4Si/c1-5-9-10-11-12-13-17(19)20-14-16(18)15-21-22(6-2,7-3)8-4/h16,18H,5-15H2,1-4H3/t16-/m1/s1
InChIKeyHYPODVXXFMHRPJ-MRXNPFEDSA-N
MW332.56 g/mol
LogP4.27
Rot. Bonds14

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

[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate (PubChem CID 121225617) has the molecular formula C17H36O4Si and a molecular weight of 332.56 g/mol. Its IUPAC name is [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate.

Molecular Properties

Compound Name[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate
PubChem CID121225617
Molecular FormulaC17H36O4Si
Molecular Weight332.56 g/mol
Exact Mass332.24
IUPAC Name[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate
SMILESCCCCCCCC(=O)OC[C@@H](O)CO[Si](CC)(CC)CC
InChIInChI=1S/C17H36O4Si/c1-5-9-10-11-12-13-17(19)20-14-16(18)15-21-22(6-2,7-3)8-4/h16,18H,5-15H2,1-4H3/t16-/m1/s1
InChIKeyHYPODVXXFMHRPJ-MRXNPFEDSA-N
XLogP4.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.56
LogP ≤ 54.27
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] octanoate?
The IUPAC name of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate (CID 121225617) is [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate.
What is the SMILES notation for [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate?
The canonical SMILES for [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate is CCCCCCCC(=O)OC[C@@H](O)CO[Si](CC)(CC)CC.
What is the InChIKey of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate?
The InChIKey is HYPODVXXFMHRPJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H36O4Si/c1-5-9-10-11-12-13-17(19)20-14-16(18)15-21-22(6-2,7-3)8-4/h16,18H,5-15H2,1-4H3/t16-/m1/s1.
What are the key properties of [(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate?
[(2R)-2-hydroxy-3-triethylsilyloxypropyl] octanoate has a molecular weight of 332.56 g/mol, XLogP of 4.27, 14 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] octanoate is sourced from PubChem (CID 121225617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).