4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine

C13H17NO — CID 146419743

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine
SMILESC/C=C\C(=C/C)Oc1cc(C)nc(C)c1
InChIInChI=1S/C13H17NO/c1-5-7-12(6-2)15-13-8-10(3)14-11(4)9-13/h5-9H,1-4H3/b7-5-,12-6+
InChIKeyVAENRAMFMVQADO-NFWBANDSSA-N
MW203.28 g/mol
LogP3.56
Rot. Bonds3

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine

4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine (PubChem CID 146419743) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine
PubChem CID146419743
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine
SMILESC/C=C\C(=C/C)Oc1cc(C)nc(C)c1
InChIInChI=1S/C13H17NO/c1-5-7-12(6-2)15-13-8-10(3)14-11(4)9-13/h5-9H,1-4H3/b7-5-,12-6+
InChIKeyVAENRAMFMVQADO-NFWBANDSSA-N
XLogP3.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine (CID 146419743) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine is C/C=C\C(=C/C)Oc1cc(C)nc(C)c1.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine?
The InChIKey is VAENRAMFMVQADO-NFWBANDSSA-N. The full InChI is InChI=1S/C13H17NO/c1-5-7-12(6-2)15-13-8-10(3)14-11(4)9-13/h5-9H,1-4H3/b7-5-,12-6+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine has a molecular weight of 203.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-2,6-dimethylpyridine is sourced from PubChem (CID 146419743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).