tetradeca-1,12-dien-4,6,8,10-tetrayne

C14H10 — CID 162858094

IUPACtetradeca-1,12-dien-4,6,8,10-tetrayne
SMILESC=CCC#CC#CC#CC#CC=CC
InChIInChI=1S/C14H10/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4,6H,1,5H2,2H3
InChIKeyVCOFOVIBYSJFJQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.15
Rot. Bonds1

About tetradeca-1,12-dien-4,6,8,10-tetrayne

tetradeca-1,12-dien-4,6,8,10-tetrayne (PubChem CID 162858094) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is tetradeca-1,12-dien-4,6,8,10-tetrayne.

Molecular Properties

Compound Nametetradeca-1,12-dien-4,6,8,10-tetrayne
PubChem CID162858094
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Nametetradeca-1,12-dien-4,6,8,10-tetrayne
SMILESC=CCC#CC#CC#CC#CC=CC
InChIInChI=1S/C14H10/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4,6H,1,5H2,2H3
InChIKeyVCOFOVIBYSJFJQ-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,11-Tridecadiene-3,5,7,9-tetrayne
CID 5322026
(E)-1,11-Tridecadiene-3,5,7,9-tetrayne
CID 5352703
2-Nonen-4-yne, (E)-
CID 5367387
1-Nonen-4-yne
CID 141638
(Z)-non-2-en-4-yne
CID 5367386
1,11-Tridecadien-3,5,7,9-tetrayne
CID 528754
1-Octen-4-yne
CID 141127
CID 556320
CID 556320
1,6-Heptadien-3-yne
CID 561780
2,12-Tetradecadiene-4,6,8,10-tetrayne
CID 131751387
Undec-1-en-5,7,9-triyne
CID 14104320
(9E)-undeca-1,9-dien-5,7-diyne
CID 15736690

Frequently Asked Questions

What is the IUPAC name of tetradeca-1,12-dien-4,6,8,10-tetrayne?
The IUPAC name of tetradeca-1,12-dien-4,6,8,10-tetrayne (CID 162858094) is tetradeca-1,12-dien-4,6,8,10-tetrayne.
What is the SMILES notation for tetradeca-1,12-dien-4,6,8,10-tetrayne?
The canonical SMILES for tetradeca-1,12-dien-4,6,8,10-tetrayne is C=CCC#CC#CC#CC#CC=CC.
What is the InChIKey of tetradeca-1,12-dien-4,6,8,10-tetrayne?
The InChIKey is VCOFOVIBYSJFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4,6H,1,5H2,2H3.
What are the key properties of tetradeca-1,12-dien-4,6,8,10-tetrayne?
tetradeca-1,12-dien-4,6,8,10-tetrayne has a molecular weight of 178.23 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-1,12-dien-4,6,8,10-tetrayne is sourced from PubChem (CID 162858094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).