undeca-1,2,3-trien-5,7,9-triyne

C11H6 — CID 59363816

IUPACundeca-1,2,3-trien-5,7,9-triyne
SMILESC=C=C=CC#CC#CC#CC
InChIInChI=1S/C11H6/c1-3-5-7-9-11-10-8-6-4-2/h7H,1H2,2H3
InChIKeyCOTNNJAVJKMIPU-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.51
Rot. Bonds

About undeca-1,2,3-trien-5,7,9-triyne

undeca-1,2,3-trien-5,7,9-triyne (PubChem CID 59363816) has the molecular formula C11H6 and a molecular weight of 138.17 g/mol. Its IUPAC name is undeca-1,2,3-trien-5,7,9-triyne.

Molecular Properties

Compound Nameundeca-1,2,3-trien-5,7,9-triyne
PubChem CID59363816
Molecular FormulaC11H6
Molecular Weight138.17 g/mol
Exact Mass138.05
IUPAC Nameundeca-1,2,3-trien-5,7,9-triyne
SMILESC=C=C=CC#CC#CC#CC
InChIInChI=1S/C11H6/c1-3-5-7-9-11-10-8-6-4-2/h7H,1H2,2H3
InChIKeyCOTNNJAVJKMIPU-UHFFFAOYSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze undeca-1,2,3-trien-5,7,9-triyne with MolForge

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

Launch Full Analysis

Related Compounds

icosa-2,4,6,8,10,12,14,16,18-nonayne
CID 22082360
tetratetracontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142-henheptacontayne
CID 123192391
octaoctacontahecta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58,60,62,64,66,68,70,72,74,76,78,80,82,84,86,88,90,92,94,96,98,100,102,104,106,108,110,112,114,116,118,120,122,124,126,128,130,132,134,136,138,140,142,144,146,148,150,152,154,156,158,160,162,164,166,168,170,172,174,176,178,180,182,184,186-trinonacontayne
CID 123157218
hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne
CID 21343619
dodeca-2,4-dien-6,8,10-triyne
CID 163085735
cyclopropane;hexaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosayne
CID 91199081
1-bromohepta-1,3,5-triyne
CID 20735643
1-iodonona-1,3,5,7-tetrayne
CID 126629440
tritriacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131-hexahexacontayne
CID 58354339
octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne
CID 164732425
nona-1,3,5,7-tetrayne
CID 59907654
pentaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83-dotetracontayne
CID 162450541

Frequently Asked Questions

What is the IUPAC name of undeca-1,2,3-trien-5,7,9-triyne?
The IUPAC name of undeca-1,2,3-trien-5,7,9-triyne (CID 59363816) is undeca-1,2,3-trien-5,7,9-triyne.
What is the SMILES notation for undeca-1,2,3-trien-5,7,9-triyne?
The canonical SMILES for undeca-1,2,3-trien-5,7,9-triyne is C=C=C=CC#CC#CC#CC.
What is the InChIKey of undeca-1,2,3-trien-5,7,9-triyne?
The InChIKey is COTNNJAVJKMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6/c1-3-5-7-9-11-10-8-6-4-2/h7H,1H2,2H3.
What are the key properties of undeca-1,2,3-trien-5,7,9-triyne?
undeca-1,2,3-trien-5,7,9-triyne has a molecular weight of 138.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,2,3-trien-5,7,9-triyne is sourced from PubChem (CID 59363816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).