(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol

C23H36O2 — CID 118041907

IUPAC(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol
SMILESCC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\C(O)C/C=C\CCC
InChIInChI=1S/C23H36O2/c1-4-6-8-10-12-16-20-23(3,25)21-17-13-11-15-19-22(24)18-14-9-7-5-2/h6,8-9,11-17,19,21-22,24-25H,4-5,7,10,18,20H2,1-3H3/b8-6-,13-11+,14-9-,16-12-,19-15+,21-17-
InChIKeyCSDDJEJMVVZGBG-BWUKENBESA-N
MW344.54 g/mol
LogP5.82
Rot. Bonds13

About (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol

(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol (PubChem CID 118041907) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol.

Molecular Properties

Compound Name(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol
PubChem CID118041907
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol
SMILESCC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\C(O)C/C=C\CCC
InChIInChI=1S/C23H36O2/c1-4-6-8-10-12-16-20-23(3,25)21-17-13-11-15-19-22(24)18-14-9-7-5-2/h6,8-9,11-17,19,21-22,24-25H,4-5,7,10,18,20H2,1-3H3/b8-6-,13-11+,14-9-,16-12-,19-15+,21-17-
InChIKeyCSDDJEJMVVZGBG-BWUKENBESA-N
XLogP5.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol?
The IUPAC name of (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol (CID 118041907) is (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol.
What is the SMILES notation for (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol?
The canonical SMILES for (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol is CC/C=C\C/C=C\CC(C)(O)/C=C\C=C\C=C\C(O)C/C=C\CCC.
What is the InChIKey of (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol?
The InChIKey is CSDDJEJMVVZGBG-BWUKENBESA-N. The full InChI is InChI=1S/C23H36O2/c1-4-6-8-10-12-16-20-23(3,25)21-17-13-11-15-19-22(24)18-14-9-7-5-2/h6,8-9,11-17,19,21-22,24-25H,4-5,7,10,18,20H2,1-3H3/b8-6-,13-11+,14-9-,16-12-,19-15+,21-17-.
What are the key properties of (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol?
(4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol has a molecular weight of 344.54 g/mol, XLogP of 5.82, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E,10E,12Z,16Z,19Z)-14-methyldocosa-4,8,10,12,16,19-hexaene-7,14-diol is sourced from PubChem (CID 118041907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).