12-pyridin-2-yloxydodeca-2,4-dienoic acid

C17H23NO3 — CID 88522953

IUPAC12-pyridin-2-yloxydodeca-2,4-dienoic acid
SMILESO=C(O)C=CC=CCCCCCCCOc1ccccn1
InChIInChI=1S/C17H23NO3/c19-17(20)13-8-6-4-2-1-3-5-7-11-15-21-16-12-9-10-14-18-16/h4,6,8-10,12-14H,1-3,5,7,11,15H2,(H,19,20)
InChIKeyQIMCQPQDPVAVAL-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.00
Rot. Bonds11

About 12-pyridin-2-yloxydodeca-2,4-dienoic acid

12-pyridin-2-yloxydodeca-2,4-dienoic acid (PubChem CID 88522953) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 12-pyridin-2-yloxydodeca-2,4-dienoic acid.

Molecular Properties

Compound Name12-pyridin-2-yloxydodeca-2,4-dienoic acid
PubChem CID88522953
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name12-pyridin-2-yloxydodeca-2,4-dienoic acid
SMILESO=C(O)C=CC=CCCCCCCCOc1ccccn1
InChIInChI=1S/C17H23NO3/c19-17(20)13-8-6-4-2-1-3-5-7-11-15-21-16-12-9-10-14-18-16/h4,6,8-10,12-14H,1-3,5,7,11,15H2,(H,19,20)
InChIKeyQIMCQPQDPVAVAL-UHFFFAOYSA-N
XLogP4.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

20-hydroperoxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070928
7-pyridin-2-yloxyheptan-1-ol
CID 22675453
8-pyridin-2-yloxyoctan-1-ol
CID 22675460
12-pyridin-2-yloxydodecyl acetate
CID 70684250
2-butoxypyridine;carbonic acid
CID 159061563
20-(trioxidanyl)icosa-2,4,6-trienoic acid
CID 54073046
6-pyridin-2-yloxyhexane-1-thiol
CID 91150264
(2E,4Z)-13-oxotrideca-2,4-dienoic acid
CID 177426996
(2E,4E)-nonadeca-2,4-dienedioic acid
CID 87405159
(2E,4E)-tetracosa-2,4-dienoic acid
CID 19784025
(2E,4E)-undeca-2,4-dienoic acid
CID 5312374
(2E,4E)-icosa-2,4-dienoic acid
CID 11483665

Frequently Asked Questions

What is the IUPAC name of 12-pyridin-2-yloxydodeca-2,4-dienoic acid?
The IUPAC name of 12-pyridin-2-yloxydodeca-2,4-dienoic acid (CID 88522953) is 12-pyridin-2-yloxydodeca-2,4-dienoic acid.
What is the SMILES notation for 12-pyridin-2-yloxydodeca-2,4-dienoic acid?
The canonical SMILES for 12-pyridin-2-yloxydodeca-2,4-dienoic acid is O=C(O)C=CC=CCCCCCCCOc1ccccn1.
What is the InChIKey of 12-pyridin-2-yloxydodeca-2,4-dienoic acid?
The InChIKey is QIMCQPQDPVAVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-17(20)13-8-6-4-2-1-3-5-7-11-15-21-16-12-9-10-14-18-16/h4,6,8-10,12-14H,1-3,5,7,11,15H2,(H,19,20).
What are the key properties of 12-pyridin-2-yloxydodeca-2,4-dienoic acid?
12-pyridin-2-yloxydodeca-2,4-dienoic acid has a molecular weight of 289.38 g/mol, XLogP of 4.00, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-pyridin-2-yloxydodeca-2,4-dienoic acid is sourced from PubChem (CID 88522953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).