6-hydroxy-2-(4-hydroxybutyl)decanoic acid

C14H28O4 — CID 142685881

IUPAC6-hydroxy-2-(4-hydroxybutyl)decanoic acid
SMILESCCCCC(O)CCCC(CCCCO)C(=O)O
InChIInChI=1S/C14H28O4/c1-2-3-9-13(16)10-6-8-12(14(17)18)7-4-5-11-15/h12-13,15-16H,2-11H2,1H3,(H,17,18)
InChIKeyZZSYDFREQCLWNG-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.57
Rot. Bonds12

About 6-hydroxy-2-(4-hydroxybutyl)decanoic acid

6-hydroxy-2-(4-hydroxybutyl)decanoic acid (PubChem CID 142685881) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 6-hydroxy-2-(4-hydroxybutyl)decanoic acid.

Molecular Properties

Compound Name6-hydroxy-2-(4-hydroxybutyl)decanoic acid
PubChem CID142685881
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name6-hydroxy-2-(4-hydroxybutyl)decanoic acid
SMILESCCCCC(O)CCCC(CCCCO)C(=O)O
InChIInChI=1S/C14H28O4/c1-2-3-9-13(16)10-6-8-12(14(17)18)7-4-5-11-15/h12-13,15-16H,2-11H2,1H3,(H,17,18)
InChIKeyZZSYDFREQCLWNG-UHFFFAOYSA-N
XLogP2.57
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybutyl)octadecanoic acid
CID 88766543
2-dodecyl-14-hydroxyicosanoic acid
CID 87612369
2-(10-hydroxydecyl)icosanoic acid
CID 87534717
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746
5-hydroxy-2-octylundecanoic acid
CID 57125761
azane;2,7-dibutyloctanedioic acid
CID 174821009
12-hydroxy-2-(hydroxymethyl)octadecanoic acid
CID 162814752
(2S)-2-butyldecanoic acid
CID 98176194
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
CID 87702087
CID 87702087
2-hexadecylicosanoic acid;propane-1,2,3-triol
CID 175484850

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(4-hydroxybutyl)decanoic acid?
The IUPAC name of 6-hydroxy-2-(4-hydroxybutyl)decanoic acid (CID 142685881) is 6-hydroxy-2-(4-hydroxybutyl)decanoic acid.
What is the SMILES notation for 6-hydroxy-2-(4-hydroxybutyl)decanoic acid?
The canonical SMILES for 6-hydroxy-2-(4-hydroxybutyl)decanoic acid is CCCCC(O)CCCC(CCCCO)C(=O)O.
What is the InChIKey of 6-hydroxy-2-(4-hydroxybutyl)decanoic acid?
The InChIKey is ZZSYDFREQCLWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O4/c1-2-3-9-13(16)10-6-8-12(14(17)18)7-4-5-11-15/h12-13,15-16H,2-11H2,1H3,(H,17,18).
What are the key properties of 6-hydroxy-2-(4-hydroxybutyl)decanoic acid?
6-hydroxy-2-(4-hydroxybutyl)decanoic acid has a molecular weight of 260.37 g/mol, XLogP of 2.57, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(4-hydroxybutyl)decanoic acid is sourced from PubChem (CID 142685881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).