hexadecanoic acid

C16H32O2 — CID 985

IUPAChexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.55
Rot. Bonds14

About hexadecanoic acid

hexadecanoic acid (PubChem CID 985) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is hexadecanoic acid.

Molecular Properties

Compound Namehexadecanoic acid
PubChem CID985
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Namehexadecanoic acid
SMILESCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
XLogP5.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hexadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Phytanic Acid
CID 26840
Docosanoic Acid
CID 8215

Frequently Asked Questions

What is the IUPAC name of hexadecanoic acid?
The IUPAC name of hexadecanoic acid (CID 985) is hexadecanoic acid.
What is the SMILES notation for hexadecanoic acid?
The canonical SMILES for hexadecanoic acid is CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of hexadecanoic acid?
The InChIKey is IPCSVZSSVZVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18).
What are the key properties of hexadecanoic acid?
hexadecanoic acid has a molecular weight of 256.43 g/mol, XLogP of 5.55, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoic acid is sourced from PubChem (CID 985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).