pentadecanoic acid

C15H30O2 — CID 13849

IUPACpentadecanoic acid
SMILESCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKeyWQEPLUUGTLDZJY-UHFFFAOYSA-N
MW242.40 g/mol
LogP5.16
Rot. Bonds13

About pentadecanoic acid

pentadecanoic acid (PubChem CID 13849) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is pentadecanoic acid.

Molecular Properties

Compound Namepentadecanoic acid
PubChem CID13849
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Namepentadecanoic acid
SMILESCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKeyWQEPLUUGTLDZJY-UHFFFAOYSA-N
XLogP5.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215

Frequently Asked Questions

What is the IUPAC name of pentadecanoic acid?
The IUPAC name of pentadecanoic acid (CID 13849) is pentadecanoic acid.
What is the SMILES notation for pentadecanoic acid?
The canonical SMILES for pentadecanoic acid is CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of pentadecanoic acid?
The InChIKey is WQEPLUUGTLDZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17).
What are the key properties of pentadecanoic acid?
pentadecanoic acid has a molecular weight of 242.40 g/mol, XLogP of 5.16, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecanoic acid is sourced from PubChem (CID 13849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).