3-dodecyl-4-ethenylpyridine

C19H31N — CID 23503907

IUPAC3-dodecyl-4-ethenylpyridine
SMILESC=Cc1ccncc1CCCCCCCCCCCC
InChIInChI=1S/C19H31N/c1-3-5-6-7-8-9-10-11-12-13-14-19-17-20-16-15-18(19)4-2/h4,15-17H,2-3,5-14H2,1H3
InChIKeySLTIQKCYNGESMR-UHFFFAOYSA-N
MW273.46 g/mol
LogP6.19
Rot. Bonds12

About 3-dodecyl-4-ethenylpyridine

3-dodecyl-4-ethenylpyridine (PubChem CID 23503907) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-dodecyl-4-ethenylpyridine.

Molecular Properties

Compound Name3-dodecyl-4-ethenylpyridine
PubChem CID23503907
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-dodecyl-4-ethenylpyridine
SMILESC=Cc1ccncc1CCCCCCCCCCCC
InChIInChI=1S/C19H31N/c1-3-5-6-7-8-9-10-11-12-13-14-19-17-20-16-15-18(19)4-2/h4,15-17H,2-3,5-14H2,1H3
InChIKeySLTIQKCYNGESMR-UHFFFAOYSA-N
XLogP6.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-pentylbenzene
CID 22171756
4-heptyl-3-methylpyridine
CID 143666243
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281
1,2-bis(ethenyl)-3-octadecylbenzene
CID 18628258
1,3-didecyl-2-ethenylbenzene
CID 10572118
4-octylpyridine-3-carbonitrile
CID 102497290
1-dodecyl-4-ethenyl-2,5-diethylbenzene
CID 142098538
3-methoxy-4-pentylpyridine
CID 170214218
4-hexylpyridine-3-carboxylic acid
CID 54526352
3-pentyl-4-propan-2-yloxypyridine
CID 54537415
(4-butyl-3-pyridinyl)methanol
CID 173058896
2-(3-pentyl-4-pyridinyl)phenol
CID 135745178

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-4-ethenylpyridine?
The IUPAC name of 3-dodecyl-4-ethenylpyridine (CID 23503907) is 3-dodecyl-4-ethenylpyridine.
What is the SMILES notation for 3-dodecyl-4-ethenylpyridine?
The canonical SMILES for 3-dodecyl-4-ethenylpyridine is C=Cc1ccncc1CCCCCCCCCCCC.
What is the InChIKey of 3-dodecyl-4-ethenylpyridine?
The InChIKey is SLTIQKCYNGESMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-3-5-6-7-8-9-10-11-12-13-14-19-17-20-16-15-18(19)4-2/h4,15-17H,2-3,5-14H2,1H3.
What are the key properties of 3-dodecyl-4-ethenylpyridine?
3-dodecyl-4-ethenylpyridine has a molecular weight of 273.46 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-4-ethenylpyridine is sourced from PubChem (CID 23503907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).