[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate

C26H50O5 — CID 131799469

IUPAC[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
SMILESCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC
InChIInChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-15-17-19-21-26(29)31-23-24(27)22-30-25(28)20-18-16-14-10-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m1/s1
InChIKeyDXTZZJUXDAQHER-XMMPIXPASA-N
MW442.68 g/mol
LogP6.89
Rot. Bonds23

About [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate

[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate (PubChem CID 131799469) has the molecular formula C26H50O5 and a molecular weight of 442.68 g/mol. Its IUPAC name is [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate.

Molecular Properties

Compound Name[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
PubChem CID131799469
Molecular FormulaC26H50O5
Molecular Weight442.68 g/mol
Exact Mass442.37
IUPAC Name[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate
SMILESCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC
InChIInChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-15-17-19-21-26(29)31-23-24(27)22-30-25(28)20-18-16-14-10-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m1/s1
InChIKeyDXTZZJUXDAQHER-XMMPIXPASA-N
XLogP6.89
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-2-hydroxy-3-nonadecanoyloxypropyl] henicosanoate
CID 131800392
[3-(2-aminoacetyl)oxy-2-hydroxypropyl] tetradecanoate
CID 91467511
2-hydroxybutyl dodecanoate
CID 22965532
4-(3-docosanoyloxy-2-hydroxypropoxy)-4-oxobutanoic acid
CID 101278566

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate?
The IUPAC name of [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate (CID 131799469) is [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate.
What is the SMILES notation for [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate?
The canonical SMILES for [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate is CCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCC.
What is the InChIKey of [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate?
The InChIKey is DXTZZJUXDAQHER-XMMPIXPASA-N. The full InChI is InChI=1S/C26H50O5/c1-3-5-7-9-11-12-13-15-17-19-21-26(29)31-23-24(27)22-30-25(28)20-18-16-14-10-8-6-4-2/h24,27H,3-23H2,1-2H3/t24-/m1/s1.
What are the key properties of [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate?
[(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate has a molecular weight of 442.68 g/mol, XLogP of 6.89, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-decanoyloxy-2-hydroxypropyl] tridecanoate is sourced from PubChem (CID 131799469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).