6-(6,12-dihydroxydodecanoyloxy)hexanoic acid

C18H34O6 — CID 87377073

IUPAC6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
SMILESO=C(O)CCCCCOC(=O)CCCCC(O)CCCCCCO
InChIInChI=1S/C18H34O6/c19-14-8-2-1-4-10-16(20)11-6-7-13-18(23)24-15-9-3-5-12-17(21)22/h16,19-20H,1-15H2,(H,21,22)
InChIKeyGOTGGHWWHUAJTL-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.04
Rot. Bonds17

About 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid

6-(6,12-dihydroxydodecanoyloxy)hexanoic acid (PubChem CID 87377073) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid.

Molecular Properties

Compound Name6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
PubChem CID87377073
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name6-(6,12-dihydroxydodecanoyloxy)hexanoic acid
SMILESO=C(O)CCCCCOC(=O)CCCCC(O)CCCCCCO
InChIInChI=1S/C18H34O6/c19-14-8-2-1-4-10-16(20)11-6-7-13-18(23)24-15-9-3-5-12-17(21)22/h16,19-20H,1-15H2,(H,21,22)
InChIKeyGOTGGHWWHUAJTL-UHFFFAOYSA-N
XLogP3.04
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
10-(14-hydroxytetradecoxy)-10-oxodecanoic acid;hydrate
CID 155272403
5-(22-hydroxydocosoxy)-5-oxopentanoic acid
CID 102355782
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
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

Frequently Asked Questions

What is the IUPAC name of 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid?
The IUPAC name of 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid (CID 87377073) is 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid.
What is the SMILES notation for 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid?
The canonical SMILES for 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid is O=C(O)CCCCCOC(=O)CCCCC(O)CCCCCCO.
What is the InChIKey of 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid?
The InChIKey is GOTGGHWWHUAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c19-14-8-2-1-4-10-16(20)11-6-7-13-18(23)24-15-9-3-5-12-17(21)22/h16,19-20H,1-15H2,(H,21,22).
What are the key properties of 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid?
6-(6,12-dihydroxydodecanoyloxy)hexanoic acid has a molecular weight of 346.46 g/mol, XLogP of 3.04, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,12-dihydroxydodecanoyloxy)hexanoic acid is sourced from PubChem (CID 87377073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).