3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine

C18H29N — CID 70694935

IUPAC3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
SMILESCCCCCCCC/C=C\c1c(C)cc(C)nc1C
InChIInChI=1S/C18H29N/c1-5-6-7-8-9-10-11-12-13-18-15(2)14-16(3)19-17(18)4/h12-14H,5-11H2,1-4H3/b13-12-
InChIKeyBQXJCXDOLDLMQE-SEYXRHQNSA-N
MW259.44 g/mol
LogP5.77
Rot. Bonds8

About 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine

3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine (PubChem CID 70694935) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine.

Molecular Properties

Compound Name3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
PubChem CID70694935
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine
SMILESCCCCCCCC/C=C\c1c(C)cc(C)nc1C
InChIInChI=1S/C18H29N/c1-5-6-7-8-9-10-11-12-13-18-15(2)14-16(3)19-17(18)4/h12-14H,5-11H2,1-4H3/b13-12-
InChIKeyBQXJCXDOLDLMQE-SEYXRHQNSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.77
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

3-hept-1-enyl-1,2,4,5-tetramethylbenzene
CID 173045818
1,2,4-trimethyl-3-oct-1-enylbenzene
CID 150667765
2-[(E)-hept-1-enyl]-1,3-dimethylbenzene
CID 102152874
3-[3,5-bis[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
CID 54753039
3-[5-[(Z)-dec-1-enyl]-3-[(E)-dec-1-enyl]-4,6-dimethyl-2-pyridinyl]propan-1-ol
CID 54753193
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002
1-methyl-2-[(E)-oct-1-enyl]benzene
CID 11989536
3-hex-1-enyl-2,4-dimethylquinoline
CID 70124767
1-bromo-4-[(E)-dec-1-enyl]-2-methylimidazole
CID 168868603
1,4-dibromo-2,5-bis(dodec-1-enyl)benzene
CID 67418150
2-methyl-4-[(E)-tetradec-1-enyl]furan
CID 91799260
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine?
The IUPAC name of 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine (CID 70694935) is 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine.
What is the SMILES notation for 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine?
The canonical SMILES for 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine is CCCCCCCC/C=C\c1c(C)cc(C)nc1C.
What is the InChIKey of 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine?
The InChIKey is BQXJCXDOLDLMQE-SEYXRHQNSA-N. The full InChI is InChI=1S/C18H29N/c1-5-6-7-8-9-10-11-12-13-18-15(2)14-16(3)19-17(18)4/h12-14H,5-11H2,1-4H3/b13-12-.
What are the key properties of 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine?
3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine has a molecular weight of 259.44 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-dec-1-enyl]-2,4,6-trimethylpyridine is sourced from PubChem (CID 70694935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).