5-(6-hydroxyhexanoyloxy)pentanoic acid

C11H20O5 — CID 87986375

IUPAC5-(6-hydroxyhexanoyloxy)pentanoic acid
SMILESO=C(O)CCCCOC(=O)CCCCCO
InChIInChI=1S/C11H20O5/c12-8-4-1-2-7-11(15)16-9-5-3-6-10(13)14/h12H,1-9H2,(H,13,14)
InChIKeyGSRWAEIPMSLZQE-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.34
Rot. Bonds10

About 5-(6-hydroxyhexanoyloxy)pentanoic acid

5-(6-hydroxyhexanoyloxy)pentanoic acid (PubChem CID 87986375) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(6-hydroxyhexanoyloxy)pentanoic acid.

Molecular Properties

Compound Name5-(6-hydroxyhexanoyloxy)pentanoic acid
PubChem CID87986375
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-(6-hydroxyhexanoyloxy)pentanoic acid
SMILESO=C(O)CCCCOC(=O)CCCCCO
InChIInChI=1S/C11H20O5/c12-8-4-1-2-7-11(15)16-9-5-3-6-10(13)14/h12H,1-9H2,(H,13,14)
InChIKeyGSRWAEIPMSLZQE-UHFFFAOYSA-N
XLogP1.34
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.34
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

15-(15-hydroxypentadecanoyloxy)pentadecanoic acid
CID 5204801
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 5-(6-hydroxyhexanoyloxy)pentanoic acid?
The IUPAC name of 5-(6-hydroxyhexanoyloxy)pentanoic acid (CID 87986375) is 5-(6-hydroxyhexanoyloxy)pentanoic acid.
What is the SMILES notation for 5-(6-hydroxyhexanoyloxy)pentanoic acid?
The canonical SMILES for 5-(6-hydroxyhexanoyloxy)pentanoic acid is O=C(O)CCCCOC(=O)CCCCCO.
What is the InChIKey of 5-(6-hydroxyhexanoyloxy)pentanoic acid?
The InChIKey is GSRWAEIPMSLZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c12-8-4-1-2-7-11(15)16-9-5-3-6-10(13)14/h12H,1-9H2,(H,13,14).
What are the key properties of 5-(6-hydroxyhexanoyloxy)pentanoic acid?
5-(6-hydroxyhexanoyloxy)pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-hydroxyhexanoyloxy)pentanoic acid is sourced from PubChem (CID 87986375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).