4-[(1E,5E)-undeca-1,5-dienyl]phenol

C17H24O — CID 141405483

IUPAC4-[(1E,5E)-undeca-1,5-dienyl]phenol
SMILESCCCCC/C=C/CC/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(18)15-13-16/h6-7,10-15,18H,2-5,8-9H2,1H3/b7-6+,11-10+
InChIKeyDARONJKEXAFGBL-MVQNEBOGSA-N
MW244.38 g/mol
LogP5.32
Rot. Bonds8

About 4-[(1E,5E)-undeca-1,5-dienyl]phenol

4-[(1E,5E)-undeca-1,5-dienyl]phenol (PubChem CID 141405483) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-[(1E,5E)-undeca-1,5-dienyl]phenol.

Molecular Properties

Compound Name4-[(1E,5E)-undeca-1,5-dienyl]phenol
PubChem CID141405483
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name4-[(1E,5E)-undeca-1,5-dienyl]phenol
SMILESCCCCC/C=C/CC/C=C/c1ccc(O)cc1
InChIInChI=1S/C17H24O/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(18)15-13-16/h6-7,10-15,18H,2-5,8-9H2,1H3/b7-6+,11-10+
InChIKeyDARONJKEXAFGBL-MVQNEBOGSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-oct-1-enylbenzene-1,3-diol
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5-tridec-1-enylbenzene-1,3-diol
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4-[(E)-non-1-enyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,5E)-undeca-1,5-dienyl]phenol?
The IUPAC name of 4-[(1E,5E)-undeca-1,5-dienyl]phenol (CID 141405483) is 4-[(1E,5E)-undeca-1,5-dienyl]phenol.
What is the SMILES notation for 4-[(1E,5E)-undeca-1,5-dienyl]phenol?
The canonical SMILES for 4-[(1E,5E)-undeca-1,5-dienyl]phenol is CCCCC/C=C/CC/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(1E,5E)-undeca-1,5-dienyl]phenol?
The InChIKey is DARONJKEXAFGBL-MVQNEBOGSA-N. The full InChI is InChI=1S/C17H24O/c1-2-3-4-5-6-7-8-9-10-11-16-12-14-17(18)15-13-16/h6-7,10-15,18H,2-5,8-9H2,1H3/b7-6+,11-10+.
What are the key properties of 4-[(1E,5E)-undeca-1,5-dienyl]phenol?
4-[(1E,5E)-undeca-1,5-dienyl]phenol has a molecular weight of 244.38 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,5E)-undeca-1,5-dienyl]phenol is sourced from PubChem (CID 141405483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).