2-hydroxypropyl tricosanoate

C26H52O3 — CID 102118698

IUPAC2-hydroxypropyl tricosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)O
InChIInChI=1S/C26H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-24-25(2)27/h25,27H,3-24H2,1-2H3
InChIKeyYQDJKPWZAMPOBG-UHFFFAOYSA-N
MW412.70 g/mol
LogP8.12
Rot. Bonds23

About 2-hydroxypropyl tricosanoate

2-hydroxypropyl tricosanoate (PubChem CID 102118698) has the molecular formula C26H52O3 and a molecular weight of 412.70 g/mol. Its IUPAC name is 2-hydroxypropyl tricosanoate.

Molecular Properties

Compound Name2-hydroxypropyl tricosanoate
PubChem CID102118698
Molecular FormulaC26H52O3
Molecular Weight412.70 g/mol
Exact Mass412.39
IUPAC Name2-hydroxypropyl tricosanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)O
InChIInChI=1S/C26H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-24-25(2)27/h25,27H,3-24H2,1-2H3
InChIKeyYQDJKPWZAMPOBG-UHFFFAOYSA-N
XLogP8.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-hydroxypropyl] dodecanoate
CID 73416019
2-(2-hydroxypropoxy)propyl octanoate
CID 22496683
[(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-decanoyloxy-2-methylpropyl) dodecanoate
CID 178043499
(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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl tricosanoate?
The IUPAC name of 2-hydroxypropyl tricosanoate (CID 102118698) is 2-hydroxypropyl tricosanoate.
What is the SMILES notation for 2-hydroxypropyl tricosanoate?
The canonical SMILES for 2-hydroxypropyl tricosanoate is CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl tricosanoate?
The InChIKey is YQDJKPWZAMPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)29-24-25(2)27/h25,27H,3-24H2,1-2H3.
What are the key properties of 2-hydroxypropyl tricosanoate?
2-hydroxypropyl tricosanoate has a molecular weight of 412.70 g/mol, XLogP of 8.12, 23 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl tricosanoate is sourced from PubChem (CID 102118698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).