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

C21H30O2 — CID 13259919

IUPAC5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
SMILESC=CC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-
InChIKeyOOXBEOHCOCMKAC-UTOQUPLUSA-N
MW314.47 g/mol
LogP6.06
Rot. Bonds12

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

5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol (PubChem CID 13259919) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
PubChem CID13259919
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
SMILESC=CC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1
InChIInChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-
InChIKeyOOXBEOHCOCMKAC-UTOQUPLUSA-N
XLogP6.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.06
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)-pentadeca-8,11,14-trienyl]benzene-1,3-diol?
The IUPAC name of 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol (CID 13259919) is 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol.
What is the SMILES notation for 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol?
The canonical SMILES for 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol is C=CC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1.
What is the InChIKey of 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol?
The InChIKey is OOXBEOHCOCMKAC-UTOQUPLUSA-N. The full InChI is InChI=1S/C21H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h2,4-5,7-8,16-18,22-23H,1,3,6,9-15H2/b5-4-,8-7-.
What are the key properties of 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol?
5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol has a molecular weight of 314.47 g/mol, XLogP of 6.06, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8Z,11Z)-pentadeca-8,11,14-trienyl]benzene-1,3-diol is sourced from PubChem (CID 13259919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).