(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene

C22H30 — CID 173020863

IUPAC(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene
SMILESC1=CCCCCCCCC/C=C/C=C\C=C\C=C\C=C\C=C/1
InChIInChI=1S/C22H30/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-14H,15-22H2/b2-1+,5-3+,6-4+,9-7-,10-8-,13-11+,14-12?
InChIKeyPYLUNLCICUDTEN-GZHHXOHVSA-N
MW294.48 g/mol
LogP7.01
Rot. Bonds

About (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene

(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene (PubChem CID 173020863) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene
PubChem CID173020863
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene
SMILESC1=CCCCCCCCC/C=C/C=C\C=C\C=C\C=C\C=C/1
InChIInChI=1S/C22H30/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-14H,15-22H2/b2-1+,5-3+,6-4+,9-7-,10-8-,13-11+,14-12?
InChIKeyPYLUNLCICUDTEN-GZHHXOHVSA-N
XLogP7.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene with MolForge

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Related Compounds

cyclopentadeca-1,3,5,7,9-pentaene
CID 91292222
cyclohenicosa-1,3,5,7,9,11,13-heptaene
CID 90691443
(1E,3Z)-cyclopentadeca-1,3,5-triene
CID 173020556
cycloheptadeca-1,3,5,7-tetraene
CID 91466942
(1E,3E,5Z,7E,9Z,11Z,13E)-cyclopentacosa-1,3,5,7,9,11,13,15-octaene
CID 173020996
(1Z,3Z)-cyclononadeca-1,3,5-triene
CID 173020691
cycloheptacosa-1,3,5,7,9,11,13,15-octaene
CID 91401488
(1E,3E,5Z,7E)-cyclotrideca-1,3,5,7-tetraene
CID 141118570
cyclododeca-1,3,5-triene
CID 53421619
cyclotricosa-1,3,5,7,9-pentaene
CID 90742480
(1Z,3E,5E,7E,9E,11E,13Z,15E,17Z,19Z)-cyclononacosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 173020582
cyclotetracosa-1,3,5-triene
CID 54104094

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene?
The IUPAC name of (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene (CID 173020863) is (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene is C1=CCCCCCCCC/C=C/C=C\C=C\C=C\C=C\C=C/1.
What is the InChIKey of (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene?
The InChIKey is PYLUNLCICUDTEN-GZHHXOHVSA-N. The full InChI is InChI=1S/C22H30/c1-2-4-6-8-10-12-14-16-18-20-22-21-19-17-15-13-11-9-7-5-3-1/h1-14H,15-22H2/b2-1+,5-3+,6-4+,9-7-,10-8-,13-11+,14-12?.
What are the key properties of (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene?
(3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene has a molecular weight of 294.48 g/mol, XLogP of 7.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E,9E,11Z,13E)-cyclodocosa-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 173020863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).