tetradeca-1,4,6-triene

C14H24 — CID 174048062

IUPACtetradeca-1,4,6-triene
SMILESC=CCC=CC=CCCCCCCC
InChIInChI=1S/C14H24/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14H2,2H3
InChIKeyACNBJYLLCWZMDA-UHFFFAOYSA-N
MW192.35 g/mol
LogP5.04
Rot. Bonds9

About tetradeca-1,4,6-triene

tetradeca-1,4,6-triene (PubChem CID 174048062) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is tetradeca-1,4,6-triene.

Molecular Properties

Compound Nametetradeca-1,4,6-triene
PubChem CID174048062
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nametetradeca-1,4,6-triene
SMILESC=CCC=CC=CCCCCCCC
InChIInChI=1S/C14H24/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14H2,2H3
InChIKeyACNBJYLLCWZMDA-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-trideca-1,4,6,8-tetraene
CID 59905283
(4Z)-dodeca-1,4-diene
CID 12525542
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593
hexadeca-1,4,8-triene
CID 174048525
pentadeca-1,4,8-triene
CID 174048494
nonacosa-1,7,9,21-tetraene
CID 175853197
tetradeca-1,5,7-triene
CID 174048281
(22E)-heptatetraconta-22,24-diene
CID 56629131
pentadeca-1,4,9-triene
CID 174048539
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038

Frequently Asked Questions

What is the IUPAC name of tetradeca-1,4,6-triene?
The IUPAC name of tetradeca-1,4,6-triene (CID 174048062) is tetradeca-1,4,6-triene.
What is the SMILES notation for tetradeca-1,4,6-triene?
The canonical SMILES for tetradeca-1,4,6-triene is C=CCC=CC=CCCCCCCC.
What is the InChIKey of tetradeca-1,4,6-triene?
The InChIKey is ACNBJYLLCWZMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,7,9,11,13H,1,4-6,8,10,12,14H2,2H3.
What are the key properties of tetradeca-1,4,6-triene?
tetradeca-1,4,6-triene has a molecular weight of 192.35 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-1,4,6-triene is sourced from PubChem (CID 174048062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).