3,4-dihydroxypentadecanoic acid

C15H30O4 — CID 22348655

IUPAC3,4-dihydroxypentadecanoic acid
SMILESCCCCCCCCCCCC(O)C(O)CC(=O)O
InChIInChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-13(16)14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
InChIKeyZWTKIJQZIDZQGD-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.10
Rot. Bonds13

About 3,4-dihydroxypentadecanoic acid

3,4-dihydroxypentadecanoic acid (PubChem CID 22348655) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 3,4-dihydroxypentadecanoic acid.

Molecular Properties

Compound Name3,4-dihydroxypentadecanoic acid
PubChem CID22348655
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name3,4-dihydroxypentadecanoic acid
SMILESCCCCCCCCCCCC(O)C(O)CC(=O)O
InChIInChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-13(16)14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19)
InChIKeyZWTKIJQZIDZQGD-UHFFFAOYSA-N
XLogP3.10
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.10
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

(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
5,6-dihydroxyoctadecanoic acid
CID 5282926
4-bromo-3-hydroxydodecanoic acid
CID 88665976
4-chloro-3-hydroxydecanoic acid
CID 88665984
nonacosane-14,15-diol
CID 91509633
3-hydroxy-4-methylnonanoic acid
CID 118395332
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
6-(3,4-dihydroxyoctadecoxy)-3,4,5,6-tetrahydroxyhexanoic acid
CID 123149520
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
3-tetradecyloctadecanoic acid
CID 18954670
3-hydroxyoctanoic acid
CID 159718411

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxypentadecanoic acid?
The IUPAC name of 3,4-dihydroxypentadecanoic acid (CID 22348655) is 3,4-dihydroxypentadecanoic acid.
What is the SMILES notation for 3,4-dihydroxypentadecanoic acid?
The canonical SMILES for 3,4-dihydroxypentadecanoic acid is CCCCCCCCCCCC(O)C(O)CC(=O)O.
What is the InChIKey of 3,4-dihydroxypentadecanoic acid?
The InChIKey is ZWTKIJQZIDZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-13(16)14(17)12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19).
What are the key properties of 3,4-dihydroxypentadecanoic acid?
3,4-dihydroxypentadecanoic acid has a molecular weight of 274.40 g/mol, XLogP of 3.10, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxypentadecanoic acid is sourced from PubChem (CID 22348655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).