pentadec-14-enoic acid

C15H28O2 — CID 543854

IUPACpentadec-14-enoic acid
SMILESC=CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
InChIKeyCAHZYAQCDBBLER-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.94
Rot. Bonds13

About pentadec-14-enoic acid

pentadec-14-enoic acid (PubChem CID 543854) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is pentadec-14-enoic acid.

Molecular Properties

Compound Namepentadec-14-enoic acid
PubChem CID543854
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Namepentadec-14-enoic acid
SMILESC=CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
InChIKeyCAHZYAQCDBBLER-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentadec-14-enoic acid?
The IUPAC name of pentadec-14-enoic acid (CID 543854) is pentadec-14-enoic acid.
What is the SMILES notation for pentadec-14-enoic acid?
The canonical SMILES for pentadec-14-enoic acid is C=CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of pentadec-14-enoic acid?
The InChIKey is CAHZYAQCDBBLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17).
What are the key properties of pentadec-14-enoic acid?
pentadec-14-enoic acid has a molecular weight of 240.39 g/mol, XLogP of 4.94, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-14-enoic acid is sourced from PubChem (CID 543854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).