2-hydroxypentadecanoic acid

C15H30O3 — CID 5282903

IUPAC2-hydroxypentadecanoic acid
SMILESCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChIKeyNKASEPJANRVKDD-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.13
Rot. Bonds13

About 2-hydroxypentadecanoic acid

2-hydroxypentadecanoic acid (PubChem CID 5282903) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 2-hydroxypentadecanoic acid.

Molecular Properties

Compound Name2-hydroxypentadecanoic acid
PubChem CID5282903
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name2-hydroxypentadecanoic acid
SMILESCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChIKeyNKASEPJANRVKDD-UHFFFAOYSA-N
XLogP4.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypentadecanoic acid?
The IUPAC name of 2-hydroxypentadecanoic acid (CID 5282903) is 2-hydroxypentadecanoic acid.
What is the SMILES notation for 2-hydroxypentadecanoic acid?
The canonical SMILES for 2-hydroxypentadecanoic acid is CCCCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxypentadecanoic acid?
The InChIKey is NKASEPJANRVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18/h14,16H,2-13H2,1H3,(H,17,18).
What are the key properties of 2-hydroxypentadecanoic acid?
2-hydroxypentadecanoic acid has a molecular weight of 258.40 g/mol, XLogP of 4.13, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypentadecanoic acid is sourced from PubChem (CID 5282903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).