8-(7-hydroxyheptoxy)-8-oxooctanoic acid

C15H28O5 — CID 162853093

IUPAC8-(7-hydroxyheptoxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OCCCCCCCO
InChIInChI=1S/C15H28O5/c16-12-8-4-1-5-9-13-20-15(19)11-7-3-2-6-10-14(17)18/h16H,1-13H2,(H,17,18)
InChIKeyGYIGDLSEXBLGGP-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.90
Rot. Bonds14

About 8-(7-hydroxyheptoxy)-8-oxooctanoic acid

8-(7-hydroxyheptoxy)-8-oxooctanoic acid (PubChem CID 162853093) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is 8-(7-hydroxyheptoxy)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(7-hydroxyheptoxy)-8-oxooctanoic acid
PubChem CID162853093
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Name8-(7-hydroxyheptoxy)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)OCCCCCCCO
InChIInChI=1S/C15H28O5/c16-12-8-4-1-5-9-13-20-15(19)11-7-3-2-6-10-14(17)18/h16H,1-13H2,(H,17,18)
InChIKeyGYIGDLSEXBLGGP-UHFFFAOYSA-N
XLogP2.90
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-(7-hydroxyheptoxy)-8-oxooctanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-hydroxyhexanoyloxy)pentanoic acid
CID 87986375
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
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(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667

Frequently Asked Questions

What is the IUPAC name of 8-(7-hydroxyheptoxy)-8-oxooctanoic acid?
The IUPAC name of 8-(7-hydroxyheptoxy)-8-oxooctanoic acid (CID 162853093) is 8-(7-hydroxyheptoxy)-8-oxooctanoic acid.
What is the SMILES notation for 8-(7-hydroxyheptoxy)-8-oxooctanoic acid?
The canonical SMILES for 8-(7-hydroxyheptoxy)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)OCCCCCCCO.
What is the InChIKey of 8-(7-hydroxyheptoxy)-8-oxooctanoic acid?
The InChIKey is GYIGDLSEXBLGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c16-12-8-4-1-5-9-13-20-15(19)11-7-3-2-6-10-14(17)18/h16H,1-13H2,(H,17,18).
What are the key properties of 8-(7-hydroxyheptoxy)-8-oxooctanoic acid?
8-(7-hydroxyheptoxy)-8-oxooctanoic acid has a molecular weight of 288.38 g/mol, XLogP of 2.90, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-hydroxyheptoxy)-8-oxooctanoic acid is sourced from PubChem (CID 162853093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).