10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate

C24H48O6 — CID 155272403

IUPAC10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
SMILESO.O=C(O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCO
InChIInChI=1S/C24H46O5.H2O/c25-21-17-13-9-5-3-1-2-4-6-10-14-18-22-29-24(28)20-16-12-8-7-11-15-19-23(26)27;/h25H,1-22H2,(H,26,27);1H2
InChIKeyLOPIOIOMOLUOKX-UHFFFAOYSA-N
MW432.64 g/mol
LogP5.58
Rot. Bonds23

About 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate

10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate (PubChem CID 155272403) has the molecular formula C24H48O6 and a molecular weight of 432.64 g/mol. Its IUPAC name is 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate.

Molecular Properties

Compound Name10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
PubChem CID155272403
Molecular FormulaC24H48O6
Molecular Weight432.64 g/mol
Exact Mass432.35
IUPAC Name10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
SMILESO.O=C(O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCO
InChIInChI=1S/C24H46O5.H2O/c25-21-17-13-9-5-3-1-2-4-6-10-14-18-22-29-24(28)20-16-12-8-7-11-15-19-23(26)27;/h25H,1-22H2,(H,26,27);1H2
InChIKeyLOPIOIOMOLUOKX-UHFFFAOYSA-N
XLogP5.58
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 55.58
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
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
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 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate?
The IUPAC name of 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate (CID 155272403) is 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate.
What is the SMILES notation for 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate?
The canonical SMILES for 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate is O.O=C(O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCO.
What is the InChIKey of 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate?
The InChIKey is LOPIOIOMOLUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O5.H2O/c25-21-17-13-9-5-3-1-2-4-6-10-14-18-22-29-24(28)20-16-12-8-7-11-15-19-23(26)27;/h25H,1-22H2,(H,26,27);1H2.
What are the key properties of 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate?
10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate has a molecular weight of 432.64 g/mol, XLogP of 5.58, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate is sourced from PubChem (CID 155272403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).