docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

C22H2 — CID 20790167

IUPACdocosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C
InChIInChI=1S/C22H2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2H
InChIKeyVQVVYOIFTUUKQB-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.28
Rot. Bonds

About docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (PubChem CID 20790167) has the molecular formula C22H2 and a molecular weight of 266.26 g/mol. Its IUPAC name is docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

Molecular Properties

Compound Namedocosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
PubChem CID20790167
Molecular FormulaC22H2
Molecular Weight266.26 g/mol
Exact Mass266.02
IUPAC Namedocosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C
InChIInChI=1S/C22H2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2H
InChIKeyVQVVYOIFTUUKQB-UHFFFAOYSA-N
XLogP0.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
The IUPAC name of docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (CID 20790167) is docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.
What is the SMILES notation for docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
The canonical SMILES for docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.
What is the InChIKey of docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
The InChIKey is VQVVYOIFTUUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H2/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2H.
What are the key properties of docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?
docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne has a molecular weight of 266.26 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is sourced from PubChem (CID 20790167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).