docosa-4,6,8,10,13,16,19-heptaenoic acid

C22H30O2 — CID 72820613

IUPACdocosa-4,6,8,10,13,16,19-heptaenoic acid
SMILESCCC=CCC=CCC=CCC=CC=CC=CC=CCCC(=O)O
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-19H,2,5,8,11,20-21H2,1H3,(H,23,24)
InChIKeyQKHQDONDCGISSH-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.32
Rot. Bonds13

About docosa-4,6,8,10,13,16,19-heptaenoic acid

docosa-4,6,8,10,13,16,19-heptaenoic acid (PubChem CID 72820613) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is docosa-4,6,8,10,13,16,19-heptaenoic acid.

Molecular Properties

Compound Namedocosa-4,6,8,10,13,16,19-heptaenoic acid
PubChem CID72820613
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Namedocosa-4,6,8,10,13,16,19-heptaenoic acid
SMILESCCC=CCC=CCC=CCC=CC=CC=CC=CCCC(=O)O
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-19H,2,5,8,11,20-21H2,1H3,(H,23,24)
InChIKeyQKHQDONDCGISSH-UHFFFAOYSA-N
XLogP6.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosa-4,8,10,13,16,19-hexaenoic acid
CID 91377842
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849

Frequently Asked Questions

What is the IUPAC name of docosa-4,6,8,10,13,16,19-heptaenoic acid?
The IUPAC name of docosa-4,6,8,10,13,16,19-heptaenoic acid (CID 72820613) is docosa-4,6,8,10,13,16,19-heptaenoic acid.
What is the SMILES notation for docosa-4,6,8,10,13,16,19-heptaenoic acid?
The canonical SMILES for docosa-4,6,8,10,13,16,19-heptaenoic acid is CCC=CCC=CCC=CCC=CC=CC=CC=CCCC(=O)O.
What is the InChIKey of docosa-4,6,8,10,13,16,19-heptaenoic acid?
The InChIKey is QKHQDONDCGISSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-19H,2,5,8,11,20-21H2,1H3,(H,23,24).
What are the key properties of docosa-4,6,8,10,13,16,19-heptaenoic acid?
docosa-4,6,8,10,13,16,19-heptaenoic acid has a molecular weight of 326.48 g/mol, XLogP of 6.32, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-4,6,8,10,13,16,19-heptaenoic acid is sourced from PubChem (CID 72820613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).