16-hydroxyhexadecanoic acid

C16H32O3 — CID 10466

IUPAC16-hydroxyhexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
InChIKeyUGAGPNKCDRTDHP-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.52
Rot. Bonds15

About 16-hydroxyhexadecanoic acid

16-hydroxyhexadecanoic acid (PubChem CID 10466) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 16-hydroxyhexadecanoic acid.

Molecular Properties

Compound Name16-hydroxyhexadecanoic acid
PubChem CID10466
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name16-hydroxyhexadecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCO
InChIInChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
InChIKeyUGAGPNKCDRTDHP-UHFFFAOYSA-N
XLogP4.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.52
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 16-hydroxyhexadecanoic acid?
The IUPAC name of 16-hydroxyhexadecanoic acid (CID 10466) is 16-hydroxyhexadecanoic acid.
What is the SMILES notation for 16-hydroxyhexadecanoic acid?
The canonical SMILES for 16-hydroxyhexadecanoic acid is O=C(O)CCCCCCCCCCCCCCCO.
What is the InChIKey of 16-hydroxyhexadecanoic acid?
The InChIKey is UGAGPNKCDRTDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19).
What are the key properties of 16-hydroxyhexadecanoic acid?
16-hydroxyhexadecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.52, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyhexadecanoic acid is sourced from PubChem (CID 10466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).