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

C22H26 — CID 91543808

IUPACdocosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC
InChIInChI=1S/C22H26/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3,5-22H,1,4H2,2H3
InChIKeyMWKXJBQARYDJJT-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.59
Rot. Bonds10

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

docosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 91543808) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is docosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Namedocosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID91543808
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Namedocosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC
InChIInChI=1S/C22H26/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3,5-22H,1,4H2,2H3
InChIKeyMWKXJBQARYDJJT-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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-decaene?
The IUPAC name of docosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 91543808) is docosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for docosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for docosa-1,3,5,7,9,11,13,15,17,19-decaene is C=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC.
What is the InChIKey of docosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is MWKXJBQARYDJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3,5-22H,1,4H2,2H3.
What are the key properties of docosa-1,3,5,7,9,11,13,15,17,19-decaene?
docosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 290.45 g/mol, XLogP of 6.59, 10 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-decaene is sourced from PubChem (CID 91543808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).