undeca-1,9-dien-5,7-diyne

C11H12 — CID 162873207

IUPACundeca-1,9-dien-5,7-diyne
SMILESC=CCCC#CC#CC=CC
InChIInChI=1S/C11H12/c1-3-5-7-9-11-10-8-6-4-2/h3-4,6H,1,5,7H2,2H3
InChIKeyOSXWLNUMOOPEDB-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.54
Rot. Bonds2

About undeca-1,9-dien-5,7-diyne

undeca-1,9-dien-5,7-diyne (PubChem CID 162873207) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is undeca-1,9-dien-5,7-diyne.

Molecular Properties

Compound Nameundeca-1,9-dien-5,7-diyne
PubChem CID162873207
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Nameundeca-1,9-dien-5,7-diyne
SMILESC=CCCC#CC#CC=CC
InChIInChI=1S/C11H12/c1-3-5-7-9-11-10-8-6-4-2/h3-4,6H,1,5,7H2,2H3
InChIKeyOSXWLNUMOOPEDB-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.54
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'}

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Related Compounds

trans-5-Dodecen-7-yne
CID 5358334
1-Nonen-4-yne
CID 141638
(Z)-dodec-5-en-7-yne
CID 5367447
1-Octen-4-yne
CID 141127
Undec-1-en-5,7,9-triyne
CID 14104320
(9E)-undeca-1,9-dien-5,7-diyne
CID 15736690
Tetradeca-1,12-dien-4,6,8,10-tetrayne
CID 162858094
(E)-oct-2-en-4-yne
CID 6536902
3-Octen-5-yne, (Z)-
CID 555495
1-Hexen-4-yne
CID 10942337
Undec-1-en-6-yne
CID 11126446
(e)-6-Octen-1-yne
CID 12418805

Frequently Asked Questions

What is the IUPAC name of undeca-1,9-dien-5,7-diyne?
The IUPAC name of undeca-1,9-dien-5,7-diyne (CID 162873207) is undeca-1,9-dien-5,7-diyne.
What is the SMILES notation for undeca-1,9-dien-5,7-diyne?
The canonical SMILES for undeca-1,9-dien-5,7-diyne is C=CCCC#CC#CC=CC.
What is the InChIKey of undeca-1,9-dien-5,7-diyne?
The InChIKey is OSXWLNUMOOPEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-3-5-7-9-11-10-8-6-4-2/h3-4,6H,1,5,7H2,2H3.
What are the key properties of undeca-1,9-dien-5,7-diyne?
undeca-1,9-dien-5,7-diyne has a molecular weight of 144.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-1,9-dien-5,7-diyne is sourced from PubChem (CID 162873207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).