5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol

C23H34O2 — CID 6440713

IUPAC5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h3-4,6-7,9-10,18-20,24-25H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-
InChIKeyYPIUYRIMBUVEFO-PDBXOOCHSA-N
MW342.52 g/mol
LogP6.84
Rot. Bonds13

About 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol

5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol (PubChem CID 6440713) has the molecular formula C23H34O2 and a molecular weight of 342.52 g/mol. Its IUPAC name is 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
PubChem CID6440713
Molecular FormulaC23H34O2
Molecular Weight342.52 g/mol
Exact Mass342.26
IUPAC Name5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h3-4,6-7,9-10,18-20,24-25H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-
InChIKeyYPIUYRIMBUVEFO-PDBXOOCHSA-N
XLogP6.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.84
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol?
The IUPAC name of 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol (CID 6440713) is 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol?
The canonical SMILES for 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol is CC/C=C\C/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol?
The InChIKey is YPIUYRIMBUVEFO-PDBXOOCHSA-N. The full InChI is InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h3-4,6-7,9-10,18-20,24-25H,2,5,8,11-17H2,1H3/b4-3-,7-6-,10-9-.
What are the key properties of 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol?
5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol has a molecular weight of 342.52 g/mol, XLogP of 6.84, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]benzene-1,3-diol is sourced from PubChem (CID 6440713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).