docosa-7,15-dienoic acid

C22H40O2 — CID 71359760

IUPACdocosa-7,15-dienoic acid
SMILESCCCCCCC=CCCCCCCC=CCCCCCC(=O)O
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h7-8,15-16H,2-6,9-14,17-21H2,1H3,(H,23,24)
InChIKeyMGODENBPAJYNPY-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.44
Rot. Bonds18

About docosa-7,15-dienoic acid

docosa-7,15-dienoic acid (PubChem CID 71359760) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is docosa-7,15-dienoic acid.

Molecular Properties

Compound Namedocosa-7,15-dienoic acid
PubChem CID71359760
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Namedocosa-7,15-dienoic acid
SMILESCCCCCCC=CCCCCCCC=CCCCCCC(=O)O
InChIInChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h7-8,15-16H,2-6,9-14,17-21H2,1H3,(H,23,24)
InChIKeyMGODENBPAJYNPY-UHFFFAOYSA-N
XLogP7.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.44
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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Related Compounds

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of docosa-7,15-dienoic acid?
The IUPAC name of docosa-7,15-dienoic acid (CID 71359760) is docosa-7,15-dienoic acid.
What is the SMILES notation for docosa-7,15-dienoic acid?
The canonical SMILES for docosa-7,15-dienoic acid is CCCCCCC=CCCCCCCC=CCCCCCC(=O)O.
What is the InChIKey of docosa-7,15-dienoic acid?
The InChIKey is MGODENBPAJYNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h7-8,15-16H,2-6,9-14,17-21H2,1H3,(H,23,24).
What are the key properties of docosa-7,15-dienoic acid?
docosa-7,15-dienoic acid has a molecular weight of 336.56 g/mol, XLogP of 7.44, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-7,15-dienoic acid is sourced from PubChem (CID 71359760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).