butanoic acid;tetradecanoic acid

C18H36O4 — CID 157185085

IUPACbutanoic acid;tetradecanoic acid
SMILESCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4(5)6/h2-13H2,1H3,(H,15,16);2-3H2,1H3,(H,5,6)
InChIKeyAPAHZUATBJKTSN-UHFFFAOYSA-N
MW316.48 g/mol
LogP5.64
Rot. Bonds14

About butanoic acid;tetradecanoic acid

butanoic acid;tetradecanoic acid (PubChem CID 157185085) has the molecular formula C18H36O4 and a molecular weight of 316.48 g/mol. Its IUPAC name is butanoic acid;tetradecanoic acid.

Molecular Properties

Compound Namebutanoic acid;tetradecanoic acid
PubChem CID157185085
Molecular FormulaC18H36O4
Molecular Weight316.48 g/mol
Exact Mass316.26
IUPAC Namebutanoic acid;tetradecanoic acid
SMILESCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4(5)6/h2-13H2,1H3,(H,15,16);2-3H2,1H3,(H,5,6)
InChIKeyAPAHZUATBJKTSN-UHFFFAOYSA-N
XLogP5.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.48
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butanoic acid;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

butanoic acid;heptanoic acid
CID 88628383
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of butanoic acid;tetradecanoic acid?
The IUPAC name of butanoic acid;tetradecanoic acid (CID 157185085) is butanoic acid;tetradecanoic acid.
What is the SMILES notation for butanoic acid;tetradecanoic acid?
The canonical SMILES for butanoic acid;tetradecanoic acid is CCCC(=O)O.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of butanoic acid;tetradecanoic acid?
The InChIKey is APAHZUATBJKTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C4H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4(5)6/h2-13H2,1H3,(H,15,16);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;tetradecanoic acid?
butanoic acid;tetradecanoic acid has a molecular weight of 316.48 g/mol, XLogP of 5.64, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;tetradecanoic acid is sourced from PubChem (CID 157185085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).