(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid

C32H56O4 — CID 138295591

IUPAC(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid
SMILESCC/C=C\C/C=C\C/C=C\C(CCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H56O4/c1-3-5-7-9-11-13-15-21-25-29-32(35)36-30(26-22-18-14-12-10-8-6-4-2)27-23-19-16-17-20-24-28-31(33)34/h6,8,12,14,22,26,30H,3-5,7,9-11,13,15-21,23-25,27-29H2,1-2H3,(H,33,34)/b8-6-,14-12-,26-22-
InChIKeyXFNZSWWDBRGJGB-MESYVZCFSA-N
MW504.80 g/mol
LogP9.88
Rot. Bonds26

About (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid

(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid (PubChem CID 138295591) has the molecular formula C32H56O4 and a molecular weight of 504.80 g/mol. Its IUPAC name is (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid.

Molecular Properties

Compound Name(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid
PubChem CID138295591
Molecular FormulaC32H56O4
Molecular Weight504.80 g/mol
Exact Mass504.42
IUPAC Name(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid
SMILESCC/C=C\C/C=C\C/C=C\C(CCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H56O4/c1-3-5-7-9-11-13-15-21-25-29-32(35)36-30(26-22-18-14-12-10-8-6-4-2)27-23-19-16-17-20-24-28-31(33)34/h6,8,12,14,22,26,30H,3-5,7,9-11,13,15-21,23-25,27-29H2,1-2H3,(H,33,34)/b8-6-,14-12-,26-22-
InChIKeyXFNZSWWDBRGJGB-MESYVZCFSA-N
XLogP9.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.80
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(9Z,12Z,15Z)-8-tricosanoyloxyoctadeca-9,12,15-trienoic acid
CID 138124492
(7Z,10Z,13Z,16Z,19Z)-6-undecanoyloxydocosa-7,10,13,16,19-pentaenoic acid
CID 138267232
(7Z,10Z,13Z,16Z,19Z)-6-dodecanoyloxydocosa-7,10,13,16,19-pentaenoic acid
CID 138186009
(7Z,10Z,13Z,16Z,19Z)-6-[(Z)-docos-13-enoyl]oxydocosa-7,10,13,16,19-pentaenoic acid
CID 138264731
(8Z,11Z,14Z,17Z)-7-[(Z)-icos-11-enoyl]oxyicosa-8,11,14,17-tetraenoic acid
CID 138261501
(10Z,13Z,16Z,19Z)-9-[(Z)-henicos-11-enoyl]oxydocosa-10,13,16,19-tetraenoic acid
CID 138248754
(11Z,14Z)-10-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyhenicosa-11,14-dienoic acid
CID 138315352
(10Z,13Z,16Z,19Z)-9-[(15Z,18Z)-hexacosa-15,18-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid
CID 138202326
(10Z,13Z,16Z,19Z)-9-[(11Z,14Z)-icosa-11,14-dienoyl]oxydocosa-10,13,16,19-tetraenoic acid
CID 138316584
(10Z,13Z,16Z)-9-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxydocosa-10,13,16-trienoic acid
CID 138198611
(10Z,13Z,16Z,19Z)-9-[(Z)-tetradec-9-enoyl]oxydocosa-10,13,16,19-tetraenoic acid
CID 138216140
(Z)-8-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxypentadec-9-enoic acid
CID 138116749

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid?
The IUPAC name of (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid (CID 138295591) is (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid.
What is the SMILES notation for (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid?
The canonical SMILES for (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid is CC/C=C\C/C=C\C/C=C\C(CCCCCCCCC(=O)O)OC(=O)CCCCCCCCCCC.
What is the InChIKey of (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid?
The InChIKey is XFNZSWWDBRGJGB-MESYVZCFSA-N. The full InChI is InChI=1S/C32H56O4/c1-3-5-7-9-11-13-15-21-25-29-32(35)36-30(26-22-18-14-12-10-8-6-4-2)27-23-19-16-17-20-24-28-31(33)34/h6,8,12,14,22,26,30H,3-5,7,9-11,13,15-21,23-25,27-29H2,1-2H3,(H,33,34)/b8-6-,14-12-,26-22-.
What are the key properties of (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid?
(11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid has a molecular weight of 504.80 g/mol, XLogP of 9.88, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z,17Z)-10-dodecanoyloxyicosa-11,14,17-trienoic acid is sourced from PubChem (CID 138295591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).