methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate

C23H36O4 — CID 134166246

IUPACmethyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)CCC(=O)OC
InChIInChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(25)19-20-23(26)27-2/h4-5,7-8,10-11,13-14,16-17,21-22,24-25H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyOYPZVXCQBTXEHT-JEBPEJKESA-N
MW376.54 g/mol
LogP4.80
Rot. Bonds15

About methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate

methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate (PubChem CID 134166246) has the molecular formula C23H36O4 and a molecular weight of 376.54 g/mol. Its IUPAC name is methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate.

Molecular Properties

Compound Namemethyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate
PubChem CID134166246
Molecular FormulaC23H36O4
Molecular Weight376.54 g/mol
Exact Mass376.26
IUPAC Namemethyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)CCC(=O)OC
InChIInChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(25)19-20-23(26)27-2/h4-5,7-8,10-11,13-14,16-17,21-22,24-25H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyOYPZVXCQBTXEHT-JEBPEJKESA-N
XLogP4.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate?
The IUPAC name of methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate (CID 134166246) is methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate.
What is the SMILES notation for methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate?
The canonical SMILES for methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(O)C(O)CCC(=O)OC.
What is the InChIKey of methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate?
The InChIKey is OYPZVXCQBTXEHT-JEBPEJKESA-N. The full InChI is InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22(25)19-20-23(26)27-2/h4-5,7-8,10-11,13-14,16-17,21-22,24-25H,3,6,9,12,15,18-20H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-.
What are the key properties of methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate?
methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate has a molecular weight of 376.54 g/mol, XLogP of 4.80, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7Z,10Z,13Z,16Z,19Z)-4,5-dihydroxydocosa-7,10,13,16,19-pentaenoate is sourced from PubChem (CID 134166246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).