15-hydroxy-6-oxopentadecanoic acid

C15H28O4 — CID 154126593

IUPAC15-hydroxy-6-oxopentadecanoic acid
SMILESO=C(O)CCCCC(=O)CCCCCCCCCO
InChIInChI=1S/C15H28O4/c16-13-9-5-3-1-2-4-6-10-14(17)11-7-8-12-15(18)19/h16H,1-13H2,(H,18,19)
InChIKeyGFTXCYHUHZSESA-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.31
Rot. Bonds14

About 15-hydroxy-6-oxopentadecanoic acid

15-hydroxy-6-oxopentadecanoic acid (PubChem CID 154126593) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 15-hydroxy-6-oxopentadecanoic acid.

Molecular Properties

Compound Name15-hydroxy-6-oxopentadecanoic acid
PubChem CID154126593
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name15-hydroxy-6-oxopentadecanoic acid
SMILESO=C(O)CCCCC(=O)CCCCCCCCCO
InChIInChI=1S/C15H28O4/c16-13-9-5-3-1-2-4-6-10-14(17)11-7-8-12-15(18)19/h16H,1-13H2,(H,18,19)
InChIKeyGFTXCYHUHZSESA-UHFFFAOYSA-N
XLogP3.31
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxy-4-oxononanoic acid
CID 159708655
10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
CID 162333795
CID 162333795
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
12-hydroxydodecanoic acid;zinc
CID 88673734
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
5-hydroxypentanoic acid
CID 25945
1,11-dihydroxyundecan-6-one
CID 14015246

Frequently Asked Questions

What is the IUPAC name of 15-hydroxy-6-oxopentadecanoic acid?
The IUPAC name of 15-hydroxy-6-oxopentadecanoic acid (CID 154126593) is 15-hydroxy-6-oxopentadecanoic acid.
What is the SMILES notation for 15-hydroxy-6-oxopentadecanoic acid?
The canonical SMILES for 15-hydroxy-6-oxopentadecanoic acid is O=C(O)CCCCC(=O)CCCCCCCCCO.
What is the InChIKey of 15-hydroxy-6-oxopentadecanoic acid?
The InChIKey is GFTXCYHUHZSESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c16-13-9-5-3-1-2-4-6-10-14(17)11-7-8-12-15(18)19/h16H,1-13H2,(H,18,19).
What are the key properties of 15-hydroxy-6-oxopentadecanoic acid?
15-hydroxy-6-oxopentadecanoic acid has a molecular weight of 272.38 g/mol, XLogP of 3.31, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-hydroxy-6-oxopentadecanoic acid is sourced from PubChem (CID 154126593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).