(10Z,13Z,16Z)-docosa-10,13,16-trienoate

C22H37O2- — CID 86289994

IUPAC(10Z,13Z,16Z)-docosa-10,13,16-trienoate
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)[O-]
InChIInChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9-,13-12-
InChIKeyRILVNGKQIULBOQ-QNEBEIHSSA-M
MW333.54 g/mol
LogP5.89
Rot. Bonds17

About (10Z,13Z,16Z)-docosa-10,13,16-trienoate

(10Z,13Z,16Z)-docosa-10,13,16-trienoate (PubChem CID 86289994) has the molecular formula C22H37O2- and a molecular weight of 333.54 g/mol. Its IUPAC name is (10Z,13Z,16Z)-docosa-10,13,16-trienoate.

Molecular Properties

Compound Name(10Z,13Z,16Z)-docosa-10,13,16-trienoate
PubChem CID86289994
Molecular FormulaC22H37O2-
Molecular Weight333.54 g/mol
Exact Mass333.28
IUPAC Name(10Z,13Z,16Z)-docosa-10,13,16-trienoate
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)[O-]
InChIInChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9-,13-12-
InChIKeyRILVNGKQIULBOQ-QNEBEIHSSA-M
XLogP5.89
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
CID 140590497
(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
CID 86289180
iron(3+);tris((9Z,12Z)-octadeca-9,12-dienoate)
CID 20842033
sodium icosa-11,14-dienoate
CID 155896893
cerium(4+);tetrakis((9Z,12Z)-octadeca-9,12-dienoate)
CID 173279431
tetrakis((9Z,12Z)-octadeca-9,12-dienoate);zirconium(4+)
CID 122706867
sodium (11Z,14Z)-icosa-11,14-dienoate
CID 155906051
bis((9Z,12Z)-octadeca-9,12-dienoate);oxygen(2-);titanium(4+)
CID 159769505
azanium (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 162516291
(5Z,11Z,14Z)-icosa-5,11,14-trienoate
CID 40575468
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
(E)-triacont-15-enoate
CID 59800253

Frequently Asked Questions

What is the IUPAC name of (10Z,13Z,16Z)-docosa-10,13,16-trienoate?
The IUPAC name of (10Z,13Z,16Z)-docosa-10,13,16-trienoate (CID 86289994) is (10Z,13Z,16Z)-docosa-10,13,16-trienoate.
What is the SMILES notation for (10Z,13Z,16Z)-docosa-10,13,16-trienoate?
The canonical SMILES for (10Z,13Z,16Z)-docosa-10,13,16-trienoate is CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)[O-].
What is the InChIKey of (10Z,13Z,16Z)-docosa-10,13,16-trienoate?
The InChIKey is RILVNGKQIULBOQ-QNEBEIHSSA-M. The full InChI is InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9-,13-12-.
What are the key properties of (10Z,13Z,16Z)-docosa-10,13,16-trienoate?
(10Z,13Z,16Z)-docosa-10,13,16-trienoate has a molecular weight of 333.54 g/mol, XLogP of 5.89, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,13Z,16Z)-docosa-10,13,16-trienoate is sourced from PubChem (CID 86289994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).