cyclodocosaundecaene

C22H22 — CID 23241431

IUPACcyclodocosaundecaene
SMILESc1ccccccccccccccccccccc1
InChIInChI=1S/C22H22/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-22H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9+,12-10-,13-11-,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19+,22-20-,22-21-
InChIKeyCTOZWVUMNSNKER-QSJWOOFVSA-N
MW286.42 g/mol
LogP6.18
Rot. Bonds

About cyclodocosaundecaene

cyclodocosaundecaene (PubChem CID 23241431) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclodocosaundecaene.

Molecular Properties

Compound Namecyclodocosaundecaene
PubChem CID23241431
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Namecyclodocosaundecaene
SMILESc1ccccccccccccccccccccc1
InChIInChI=1S/C22H22/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-22H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9+,12-10-,13-11-,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19+,22-20-,22-21-
InChIKeyCTOZWVUMNSNKER-QSJWOOFVSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclodocosaundecaene?
The IUPAC name of cyclodocosaundecaene (CID 23241431) is cyclodocosaundecaene.
What is the SMILES notation for cyclodocosaundecaene?
The canonical SMILES for cyclodocosaundecaene is c1ccccccccccccccccccccc1.
What is the InChIKey of cyclodocosaundecaene?
The InChIKey is CTOZWVUMNSNKER-QSJWOOFVSA-N. The full InChI is InChI=1S/C22H22/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-22H/b2-1-,3-1-,4-2+,5-3+,6-4+,7-5+,8-6+,9-7+,10-8+,11-9+,12-10-,13-11-,14-12+,15-13+,16-14+,17-15+,18-16+,19-17+,20-18+,21-19+,22-20-,22-21-.
What are the key properties of cyclodocosaundecaene?
cyclodocosaundecaene has a molecular weight of 286.42 g/mol, XLogP of 6.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodocosaundecaene is sourced from PubChem (CID 23241431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).