trideca-1,12-diyne

C13H20 — CID 13119526

IUPACtrideca-1,12-diyne
SMILESC#CCCCCCCCCCC#C
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1-2H,5-13H2
InChIKeyADPIJJJMOBOULR-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.76
Rot. Bonds8

About trideca-1,12-diyne

trideca-1,12-diyne (PubChem CID 13119526) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is trideca-1,12-diyne.

Molecular Properties

Compound Nametrideca-1,12-diyne
PubChem CID13119526
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nametrideca-1,12-diyne
SMILESC#CCCCCCCCCCC#C
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1-2H,5-13H2
InChIKeyADPIJJJMOBOULR-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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pentadec-14-ynylidynealumane
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oct-1-yne
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hexadec-15-yn-1-ol
CID 10922615
8-fluorooct-1-yne
CID 9854
CID 172706336
CID 172706336
N-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
9,9-dimethyldec-1-yne
CID 169300385
19,19-dichlorononadec-1-yne
CID 88635184
N-methylhept-6-yn-1-amine
CID 64502555
12-methyltridec-1-yne
CID 10921423

Frequently Asked Questions

What is the IUPAC name of trideca-1,12-diyne?
The IUPAC name of trideca-1,12-diyne (CID 13119526) is trideca-1,12-diyne.
What is the SMILES notation for trideca-1,12-diyne?
The canonical SMILES for trideca-1,12-diyne is C#CCCCCCCCCCC#C.
What is the InChIKey of trideca-1,12-diyne?
The InChIKey is ADPIJJJMOBOULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h1-2H,5-13H2.
What are the key properties of trideca-1,12-diyne?
trideca-1,12-diyne has a molecular weight of 176.30 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-1,12-diyne is sourced from PubChem (CID 13119526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).