undec-1-en-5,7,9-triyne

C11H10 — CID 14104320

IUPACundec-1-en-5,7,9-triyne
SMILESC=CCCC#CC#CC#CC
InChIInChI=1S/C11H10/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,5,7H2,2H3
InChIKeyHVLJBVVQWNVMGM-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.98
Rot. Bonds2

About undec-1-en-5,7,9-triyne

undec-1-en-5,7,9-triyne (PubChem CID 14104320) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is undec-1-en-5,7,9-triyne.

Molecular Properties

Compound Nameundec-1-en-5,7,9-triyne
PubChem CID14104320
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Nameundec-1-en-5,7,9-triyne
SMILESC=CCCC#CC#CC#CC
InChIInChI=1S/C11H10/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,5,7H2,2H3
InChIKeyHVLJBVVQWNVMGM-UHFFFAOYSA-N
XLogP1.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.98
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'}

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Related Compounds

1-Hexen-5-yne
CID 518966
1-Nonen-4-yne
CID 141638
1-Octen-4-yne
CID 141127
1,6-Heptadien-3-yne
CID 561780
(9E)-undeca-1,9-dien-5,7-diyne
CID 15736690
Tetradeca-1,12-dien-4,6,8,10-tetrayne
CID 162858094
Undeca-1,9-dien-5,7-diyne
CID 162873207
1,6-Heptadien-3-yne, 5-methyl-
CID 560894
1-Hepten-4-yne, 6,6-dimethyl-
CID 572016
Undec-1-en-5,10-diyne
CID 15778165
1-Hexen-4-yne
CID 10942337
Undec-1-en-6-yne
CID 11126446

Frequently Asked Questions

What is the IUPAC name of undec-1-en-5,7,9-triyne?
The IUPAC name of undec-1-en-5,7,9-triyne (CID 14104320) is undec-1-en-5,7,9-triyne.
What is the SMILES notation for undec-1-en-5,7,9-triyne?
The canonical SMILES for undec-1-en-5,7,9-triyne is C=CCCC#CC#CC#CC.
What is the InChIKey of undec-1-en-5,7,9-triyne?
The InChIKey is HVLJBVVQWNVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,5,7H2,2H3.
What are the key properties of undec-1-en-5,7,9-triyne?
undec-1-en-5,7,9-triyne has a molecular weight of 142.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-en-5,7,9-triyne is sourced from PubChem (CID 14104320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).