pentadeca-5,7-dienoic acid

C15H26O2 — CID 123590047

IUPACpentadeca-5,7-dienoic acid
SMILESCCCCCCCC=CC=CCCCC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h8-11H,2-7,12-14H2,1H3,(H,16,17)
InChIKeyFZRVGOHWZOCVDO-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.71
Rot. Bonds11

About pentadeca-5,7-dienoic acid

pentadeca-5,7-dienoic acid (PubChem CID 123590047) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is pentadeca-5,7-dienoic acid.

Molecular Properties

Compound Namepentadeca-5,7-dienoic acid
PubChem CID123590047
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namepentadeca-5,7-dienoic acid
SMILESCCCCCCCC=CC=CCCCC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h8-11H,2-7,12-14H2,1H3,(H,16,17)
InChIKeyFZRVGOHWZOCVDO-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
icosa-8,10,14-trienoic acid
CID 162425913
(Z)-tricos-5-enoic acid
CID 170849785
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
copper;(Z)-docos-13-enoic acid
CID 174615859

Frequently Asked Questions

What is the IUPAC name of pentadeca-5,7-dienoic acid?
The IUPAC name of pentadeca-5,7-dienoic acid (CID 123590047) is pentadeca-5,7-dienoic acid.
What is the SMILES notation for pentadeca-5,7-dienoic acid?
The canonical SMILES for pentadeca-5,7-dienoic acid is CCCCCCCC=CC=CCCCC(=O)O.
What is the InChIKey of pentadeca-5,7-dienoic acid?
The InChIKey is FZRVGOHWZOCVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h8-11H,2-7,12-14H2,1H3,(H,16,17).
What are the key properties of pentadeca-5,7-dienoic acid?
pentadeca-5,7-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-5,7-dienoic acid is sourced from PubChem (CID 123590047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).