trideca-2,8-diyne

C13H20 — CID 90921383

IUPACtrideca-2,8-diyne
SMILESCC#CCCCCC#CCCCC
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7-8,10,12-13H2,1-2H3
InChIKeyDENXSCARVZDOMT-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.76
Rot. Bonds5

About trideca-2,8-diyne

trideca-2,8-diyne (PubChem CID 90921383) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is trideca-2,8-diyne.

Molecular Properties

Compound Nametrideca-2,8-diyne
PubChem CID90921383
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nametrideca-2,8-diyne
SMILESCC#CCCCCC#CCCCC
InChIInChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7-8,10,12-13H2,1-2H3
InChIKeyDENXSCARVZDOMT-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

cobalt;hept-2-yne
CID 174831630
pentadeca-5,10-diyne
CID 15530767
undeca-2,9-diyne
CID 13351096
henicos-8-yne
CID 22224321
acetic acid;oct-2-yne
CID 175336936
tetradeca-4,9-diyne
CID 173328648
icosa-5,8,11-triyne
CID 139696043
14-ethyloctacos-2-yne
CID 22224296
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
methane;bis(oct-3-yne)
CID 159540057
1-chloropentadeca-5,10-diyne
CID 560942

Frequently Asked Questions

What is the IUPAC name of trideca-2,8-diyne?
The IUPAC name of trideca-2,8-diyne (CID 90921383) is trideca-2,8-diyne.
What is the SMILES notation for trideca-2,8-diyne?
The canonical SMILES for trideca-2,8-diyne is CC#CCCCCC#CCCCC.
What is the InChIKey of trideca-2,8-diyne?
The InChIKey is DENXSCARVZDOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5,7-8,10,12-13H2,1-2H3.
What are the key properties of trideca-2,8-diyne?
trideca-2,8-diyne has a molecular weight of 176.30 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-2,8-diyne is sourced from PubChem (CID 90921383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).