tridec-1-en-6,12-diyne

C13H18 — CID 13273603

IUPACtridec-1-en-6,12-diyne
SMILESC#CCCCCC#CCCCC=C
InChIInChI=1S/C13H18/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,4H,2,5-11H2
InChIKeyUSOXURYNDISTGZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.54
Rot. Bonds6

About tridec-1-en-6,12-diyne

tridec-1-en-6,12-diyne (PubChem CID 13273603) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is tridec-1-en-6,12-diyne.

Molecular Properties

Compound Nametridec-1-en-6,12-diyne
PubChem CID13273603
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Nametridec-1-en-6,12-diyne
SMILESC#CCCCCC#CCCCC=C
InChIInChI=1S/C13H18/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,4H,2,5-11H2
InChIKeyUSOXURYNDISTGZ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.54
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 tridec-1-en-6,12-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 tridec-1-en-6,12-diyne?
The IUPAC name of tridec-1-en-6,12-diyne (CID 13273603) is tridec-1-en-6,12-diyne.
What is the SMILES notation for tridec-1-en-6,12-diyne?
The canonical SMILES for tridec-1-en-6,12-diyne is C#CCCCCC#CCCCC=C.
What is the InChIKey of tridec-1-en-6,12-diyne?
The InChIKey is USOXURYNDISTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1,4H,2,5-11H2.
What are the key properties of tridec-1-en-6,12-diyne?
tridec-1-en-6,12-diyne has a molecular weight of 174.29 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-1-en-6,12-diyne is sourced from PubChem (CID 13273603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).