tetradeca-6,13-dien-1,3-diyne

C14H18 — CID 91582024

IUPACtetradeca-6,13-dien-1,3-diyne
SMILESC#CC#CCC=CCCCCCC=C
InChIInChI=1S/C14H18/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,4,11,13H,2,6,8-10,12,14H2
InChIKeyAQBNCZCLJWJQFR-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.71
Rot. Bonds7

About tetradeca-6,13-dien-1,3-diyne

tetradeca-6,13-dien-1,3-diyne (PubChem CID 91582024) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is tetradeca-6,13-dien-1,3-diyne.

Molecular Properties

Compound Nametetradeca-6,13-dien-1,3-diyne
PubChem CID91582024
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Nametetradeca-6,13-dien-1,3-diyne
SMILESC#CC#CCC=CCCCCCC=C
InChIInChI=1S/C14H18/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,4,11,13H,2,6,8-10,12,14H2
InChIKeyAQBNCZCLJWJQFR-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.71
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': 'triple_bond', 'substructure': 'N/A'}

Analyze tetradeca-6,13-dien-1,3-diyne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tetradeca-6,13-dien-1,3-diyne?
The IUPAC name of tetradeca-6,13-dien-1,3-diyne (CID 91582024) is tetradeca-6,13-dien-1,3-diyne.
What is the SMILES notation for tetradeca-6,13-dien-1,3-diyne?
The canonical SMILES for tetradeca-6,13-dien-1,3-diyne is C#CC#CCC=CCCCCCC=C.
What is the InChIKey of tetradeca-6,13-dien-1,3-diyne?
The InChIKey is AQBNCZCLJWJQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h1,4,11,13H,2,6,8-10,12,14H2.
What are the key properties of tetradeca-6,13-dien-1,3-diyne?
tetradeca-6,13-dien-1,3-diyne has a molecular weight of 186.30 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetradeca-6,13-dien-1,3-diyne is sourced from PubChem (CID 91582024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).