2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid

C232H328O36 — CID 159272736

IUPAC2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Oc1ccccc1C(=O)O.CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)Oc1ccccc1C(=O)O.CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Oc1ccccc1C(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCC/C=C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C30H38O4.C27H36O4.C27H34O4.C25H40O4.C25H38O4.2C25H36O4.C25H34O4.C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29(31)34-28-25-23-22-24-27(28)30(32)33;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(28)31-25-22-20-19-21-24(25)27(29)30;5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)29-23-20-18-17-19-22(23)25(27)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(24)27-21-18-16-15-17-20(21)23(25)26/h4-5,7-8,10-11,13-14,16-17,19-20,22-25H,2-3,6,9,12,15,18,21,26H2,1H3,(H,32,33);6-7,9-10,12-13,15-16,19-22H,2-5,8,11,14,17-18,23H2,1H3,(H,29,30);3-4,6-7,9-10,12-13,15-16,19-22H,2,5,8,11,14,17-18,23H2,1H3,(H,29,30);17-20H,2-16,21H2,1H3,(H,27,28);9-10,17-20H,2-8,11-16,21H2,1H3,(H,27,28);7-10,17-20H,2-6,11-16,21H2,1H3,(H,27,28);6-7,9-10,17-20H,2-5,8,11-16,21H2,1H3,(H,27,28);3-4,6-7,9-10,17-20H,2,5,8,11-16,21H2,1H3,(H,27,28);15-18H,2-14,19H2,1H3,(H,25,26)/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+;7-6+,10-9+,13-12+,16-15+;4-3+,7-6+,10-9+,13-12+,16-15+;;10-9-;8-7+,10-9-;7-6-,10-9-;4-3+,7-6-,10-9-;
InChIKeyKXXKUGWAJZASTQ-ZRQZVEJGSA-N
MW3693.14 g/mol
LogP65.54
Rot. Bonds146

About 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid

2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid (PubChem CID 159272736) has the molecular formula C232H328O36 and a molecular weight of 3693.14 g/mol. Its IUPAC name is 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid.

Molecular Properties

Compound Name2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid
PubChem CID159272736
Molecular FormulaC232H328O36
Molecular Weight3693.14 g/mol
Exact Mass3690.38
IUPAC Name2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Oc1ccccc1C(=O)O.CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)Oc1ccccc1C(=O)O.CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Oc1ccccc1C(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCC/C=C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)O
InChIInChI=1S/C30H38O4.C27H36O4.C27H34O4.C25H40O4.C25H38O4.2C25H36O4.C25H34O4.C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29(31)34-28-25-23-22-24-27(28)30(32)33;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(28)31-25-22-20-19-21-24(25)27(29)30;5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)29-23-20-18-17-19-22(23)25(27)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(24)27-21-18-16-15-17-20(21)23(25)26/h4-5,7-8,10-11,13-14,16-17,19-20,22-25H,2-3,6,9,12,15,18,21,26H2,1H3,(H,32,33);6-7,9-10,12-13,15-16,19-22H,2-5,8,11,14,17-18,23H2,1H3,(H,29,30);3-4,6-7,9-10,12-13,15-16,19-22H,2,5,8,11,14,17-18,23H2,1H3,(H,29,30);17-20H,2-16,21H2,1H3,(H,27,28);9-10,17-20H,2-8,11-16,21H2,1H3,(H,27,28);7-10,17-20H,2-6,11-16,21H2,1H3,(H,27,28);6-7,9-10,17-20H,2-5,8,11-16,21H2,1H3,(H,27,28);3-4,6-7,9-10,17-20H,2,5,8,11-16,21H2,1H3,(H,27,28);15-18H,2-14,19H2,1H3,(H,25,26)/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+;7-6+,10-9+,13-12+,16-15+;4-3+,7-6+,10-9+,13-12+,16-15+;;10-9-;8-7+,10-9-;7-6-,10-9-;4-3+,7-6-,10-9-;
InChIKeyKXXKUGWAJZASTQ-ZRQZVEJGSA-N
XLogP65.54
TPSA572.40 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds146
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003693.14
LogP ≤ 565.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid with MolForge

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Related Compounds

2-henicosa-4,7,10,13,16,19-hexaenoyloxybenzoic acid
CID 123878654
[3-[(Z)-dodec-5-enoyl]oxy-2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropyl] (9Z,11Z,13Z,15Z,17Z)-henicosa-9,11,13,15,17-pentaenoate
CID 138122095
[2-[(9Z,11Z,13Z,15Z,17Z)-henicosa-9,11,13,15,17-pentaenoyl]oxy-3-[(10Z,12Z)-octadeca-10,12-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 138305514
[2-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-3-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropyl] (13E,16E,19E)-docosa-13,16,19-trienoate
CID 134768379
[2-[(9Z,11Z,13Z,15Z,17Z)-henicosa-9,11,13,15,17-pentaenoyl]oxy-3-[(4Z,7Z)-hexadeca-4,7-dienoyl]oxypropyl] (13Z,16Z,19Z)-docosa-13,16,19-trienoate
CID 138265738
[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (9Z,11Z,13Z,15Z,17Z)-henicosa-9,11,13,15,17-pentaenoate
CID 138310440
[2-[(4Z,7Z)-hexadeca-4,7-dienoyl]oxy-3-[(5Z,8Z,11Z)-tetradeca-5,8,11-trienoyl]oxypropyl] (10Z,12Z)-octadeca-10,12-dienoate
CID 138156936
[2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenoyl]oxypropyl] (14Z,16Z)-docosa-14,16-dienoate
CID 138255525
[2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(7Z,9Z)-nonadeca-7,9-dienoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
CID 138206607
2-(2-octadeca-9,12,15-trienoxybutanoyloxy)benzoic acid
CID 77473509
2,2,2-trichloroethyl 2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxybenzoate
CID 67586742
[3-[(4E,7E)-hexadeca-4,7-dienoyl]oxy-2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (9E,11E,13E)-henicosa-9,11,13-trienoate
CID 134730099

Frequently Asked Questions

What is the IUPAC name of 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid?
The IUPAC name of 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid (CID 159272736) is 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid.
What is the SMILES notation for 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid?
The canonical SMILES for 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Oc1ccccc1C(=O)O.CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)Oc1ccccc1C(=O)O.CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)Oc1ccccc1C(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCC/C=C/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)O.CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)O.
What is the InChIKey of 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid?
The InChIKey is KXXKUGWAJZASTQ-ZRQZVEJGSA-N. The full InChI is InChI=1S/C30H38O4.C27H36O4.C27H34O4.C25H40O4.C25H38O4.2C25H36O4.C25H34O4.C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29(31)34-28-25-23-22-24-27(28)30(32)33;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(28)31-25-22-20-19-21-24(25)27(29)30;5*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24(26)29-23-20-18-17-19-22(23)25(27)28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(24)27-21-18-16-15-17-20(21)23(25)26/h4-5,7-8,10-11,13-14,16-17,19-20,22-25H,2-3,6,9,12,15,18,21,26H2,1H3,(H,32,33);6-7,9-10,12-13,15-16,19-22H,2-5,8,11,14,17-18,23H2,1H3,(H,29,30);3-4,6-7,9-10,12-13,15-16,19-22H,2,5,8,11,14,17-18,23H2,1H3,(H,29,30);17-20H,2-16,21H2,1H3,(H,27,28);9-10,17-20H,2-8,11-16,21H2,1H3,(H,27,28);7-10,17-20H,2-6,11-16,21H2,1H3,(H,27,28);6-7,9-10,17-20H,2-5,8,11-16,21H2,1H3,(H,27,28);3-4,6-7,9-10,17-20H,2,5,8,11-16,21H2,1H3,(H,27,28);15-18H,2-14,19H2,1H3,(H,25,26)/b5-4+,8-7+,11-10+,14-13+,17-16+,20-19+;7-6+,10-9+,13-12+,16-15+;4-3+,7-6+,10-9+,13-12+,16-15+;;10-9-;8-7+,10-9-;7-6-,10-9-;4-3+,7-6-,10-9-;.
What are the key properties of 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid?
2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid has a molecular weight of 3693.14 g/mol, XLogP of 65.54, 146 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecanoyloxybenzoic acid;2-[(5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoyl]oxybenzoic acid;2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]oxybenzoic acid;2-[(9Z,11E)-octadeca-9,11-dienoyl]oxybenzoic acid;2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxybenzoic acid;2-octadecanoyloxybenzoic acid;2-[(9Z,12Z,15E)-octadeca-9,12,15-trienoyl]oxybenzoic acid;2-[(Z)-octadec-9-enoyl]oxybenzoic acid;2-[(4E,7E,10E,13E,16E,19E)-tricosa-4,7,10,13,16,19-hexaenoyl]oxybenzoic acid is sourced from PubChem (CID 159272736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).