undeca-2,9-diyne

C11H16 — CID 13351096

IUPACundeca-2,9-diyne
SMILESCC#CCCCCCC#CC
InChIInChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h7-11H2,1-2H3
InChIKeyFKKNTXVGHXTKPZ-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.98
Rot. Bonds4

About undeca-2,9-diyne

undeca-2,9-diyne (PubChem CID 13351096) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is undeca-2,9-diyne.

Molecular Properties

Compound Nameundeca-2,9-diyne
PubChem CID13351096
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nameundeca-2,9-diyne
SMILESCC#CCCCCCC#CC
InChIInChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h7-11H2,1-2H3
InChIKeyFKKNTXVGHXTKPZ-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.98
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

trideca-2,8-diyne
CID 90921383
1-bromonona-1,7-diyne
CID 11390008
17-methyloctadec-2-yne
CID 123546762
N-methyldec-8-yn-1-amine
CID 170134764
octadeca-4,16-diynoic acid
CID 169448081
non-7-ynoic acid
CID 549239
cobalt;hept-2-yne
CID 174831630
16-methyloctadec-2-yne
CID 166512411
12-[(2-methylpropan-2-yl)oxy]dodec-2-yne
CID 11053728
2-methyl-2-oct-6-ynyloxirane
CID 85157065
14-ethyloctacos-2-yne
CID 22224296
dodec-10-ynyl acetate
CID 13135130

Frequently Asked Questions

What is the IUPAC name of undeca-2,9-diyne?
The IUPAC name of undeca-2,9-diyne (CID 13351096) is undeca-2,9-diyne.
What is the SMILES notation for undeca-2,9-diyne?
The canonical SMILES for undeca-2,9-diyne is CC#CCCCCCC#CC.
What is the InChIKey of undeca-2,9-diyne?
The InChIKey is FKKNTXVGHXTKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-5-7-9-11-10-8-6-4-2/h7-11H2,1-2H3.
What are the key properties of undeca-2,9-diyne?
undeca-2,9-diyne has a molecular weight of 148.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-2,9-diyne is sourced from PubChem (CID 13351096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).