tetradecanoic acid

C14H28O2 — CID 11005

IUPACtetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyTUNFSRHWOTWDNC-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.77
Rot. Bonds12

About tetradecanoic acid

tetradecanoic acid (PubChem CID 11005) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is tetradecanoic acid.

Molecular Properties

Compound Nametetradecanoic acid
PubChem CID11005
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Nametetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyTUNFSRHWOTWDNC-UHFFFAOYSA-N
XLogP4.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tetradecanoic 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
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215
Dodecanedioic Acid
CID 12736

Frequently Asked Questions

What is the IUPAC name of tetradecanoic acid?
The IUPAC name of tetradecanoic acid (CID 11005) is tetradecanoic acid.
What is the SMILES notation for tetradecanoic acid?
The canonical SMILES for tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of tetradecanoic acid?
The InChIKey is TUNFSRHWOTWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16).
What are the key properties of tetradecanoic acid?
tetradecanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.77, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecanoic acid is sourced from PubChem (CID 11005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).