15-(15-hydroxypentadecanoyloxy)pentadecanoic acid

C30H58O5 — CID 5204801

IUPAC15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C30H58O5/c31-27-23-19-15-11-7-3-1-6-10-14-18-22-26-30(34)35-28-24-20-16-12-8-4-2-5-9-13-17-21-25-29(32)33/h31H,1-28H2,(H,32,33)
InChIKeyWCQMLLWIWAAQRG-UHFFFAOYSA-N
MW498.79 g/mol
LogP8.75
Rot. Bonds29

About 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid

15-(15-hydroxypentadecanoyloxy)pentadecanoic acid (PubChem CID 5204801) has the molecular formula C30H58O5 and a molecular weight of 498.79 g/mol. Its IUPAC name is 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid.

Molecular Properties

Compound Name15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
PubChem CID5204801
Molecular FormulaC30H58O5
Molecular Weight498.79 g/mol
Exact Mass498.43
IUPAC Name15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCO
InChIInChI=1S/C30H58O5/c31-27-23-19-15-11-7-3-1-6-10-14-18-22-26-30(34)35-28-24-20-16-12-8-4-2-5-9-13-17-21-25-29(32)33/h31H,1-28H2,(H,32,33)
InChIKeyWCQMLLWIWAAQRG-UHFFFAOYSA-N
XLogP8.75
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.79
LogP ≤ 58.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
6-[6-[6-[6-[6-[6-[6-[6-[6-(6-hydroxyhexanoyloxy)hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoic acid
CID 88979293
8-(7-hydroxyheptoxy)-8-oxooctanoic acid
CID 162853093
7-(7-hydroxyheptanoyloxy)heptanoic acid
CID 90997926
10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
CID 155272403
5-(22-hydroxydocosoxy)-5-oxopentanoic acid
CID 102355782
bis(bis(4-hydroxybutyl) butanedioate);hexanedioic acid
CID 174534613
ethane-1,2-diol;ethene;6-(4-hydroxybutoxy)-6-oxohexanoic acid
CID 87123027
6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoic acid;ethane-1,2-diol
CID 87078345
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
bis(4-hydroxybutyl) octanedioate
CID 58519863
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033

Frequently Asked Questions

What is the IUPAC name of 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid?
The IUPAC name of 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid (CID 5204801) is 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid.
What is the SMILES notation for 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid?
The canonical SMILES for 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid is O=C(O)CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCO.
What is the InChIKey of 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid?
The InChIKey is WCQMLLWIWAAQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O5/c31-27-23-19-15-11-7-3-1-6-10-14-18-22-26-30(34)35-28-24-20-16-12-8-4-2-5-9-13-17-21-25-29(32)33/h31H,1-28H2,(H,32,33).
What are the key properties of 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid?
15-(15-hydroxypentadecanoyloxy)pentadecanoic acid has a molecular weight of 498.79 g/mol, XLogP of 8.75, 29 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(15-hydroxypentadecanoyloxy)pentadecanoic acid is sourced from PubChem (CID 5204801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).