[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate

C23H48O4Si — CID 11015240

IUPAC[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-19-21(24)20-27-28(5,6)23(2,3)4/h21,24H,7-20H2,1-6H3/t21-/m1/s1
InChIKeyLKOYRBQWHSKKAO-OAQYLSRUSA-N
MW416.72 g/mol
LogP6.61
Rot. Bonds17

About [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate

[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate (PubChem CID 11015240) has the molecular formula C23H48O4Si and a molecular weight of 416.72 g/mol. Its IUPAC name is [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate.

Molecular Properties

Compound Name[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
PubChem CID11015240
Molecular FormulaC23H48O4Si
Molecular Weight416.72 g/mol
Exact Mass416.33
IUPAC Name[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-19-21(24)20-27-28(5,6)23(2,3)4/h21,24H,7-20H2,1-6H3/t21-/m1/s1
InChIKeyLKOYRBQWHSKKAO-OAQYLSRUSA-N
XLogP6.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.72
LogP ≤ 56.61
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

[(2R)-2-hydroxy-3-octanoyloxypropyl] pentadecanoate
CID 131799748
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
(3-heptadecanoyloxy-2-hydroxypropyl) heptadecanoate
CID 19753453
[(2R)-3-hexadecanoyloxy-2-hydroxypropyl] heptadecanoate
CID 131800092
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] tetracosanoate
CID 131801713
(3-heptadecanoyloxy-2-hydroxypropyl) octadecanoate
CID 178202109
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131800454
[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
CID 131799469
[(2R)-2-hydroxy-3-nonadecanoyloxypropyl] henicosanoate
CID 131800392
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
CID 91467511
[tert-butyl(dimethyl)silyl] tetradecanoate
CID 528599

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate?
The IUPAC name of [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate (CID 11015240) is [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate.
What is the SMILES notation for [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate?
The canonical SMILES for [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate is CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate?
The InChIKey is LKOYRBQWHSKKAO-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H48O4Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-19-21(24)20-27-28(5,6)23(2,3)4/h21,24H,7-20H2,1-6H3/t21-/m1/s1.
What are the key properties of [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate?
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate has a molecular weight of 416.72 g/mol, XLogP of 6.61, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate is sourced from PubChem (CID 11015240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).