cyclopentacosa-1,3,5-triene

C25H44 — CID 91129335

IUPACcyclopentacosa-1,3,5-triene
SMILESC1=CC=CCCCCCCCCCCCCCCCCCCCC=C1
InChIInChI=1S/C25H44/c1-2-4-6-8-10-12-14-16-18-20-22-24-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-6H,7-25H2
InChIKeyPPNGHEKIQKCRPO-UHFFFAOYSA-N
MW344.63 g/mol
LogP9.08
Rot. Bonds

About cyclopentacosa-1,3,5-triene

cyclopentacosa-1,3,5-triene (PubChem CID 91129335) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is cyclopentacosa-1,3,5-triene.

Molecular Properties

Compound Namecyclopentacosa-1,3,5-triene
PubChem CID91129335
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Namecyclopentacosa-1,3,5-triene
SMILESC1=CC=CCCCCCCCCCCCCCCCCCCCC=C1
InChIInChI=1S/C25H44/c1-2-4-6-8-10-12-14-16-18-20-22-24-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-6H,7-25H2
InChIKeyPPNGHEKIQKCRPO-UHFFFAOYSA-N
XLogP9.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclopentacosa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 cyclopentacosa-1,3,5-triene?
The IUPAC name of cyclopentacosa-1,3,5-triene (CID 91129335) is cyclopentacosa-1,3,5-triene.
What is the SMILES notation for cyclopentacosa-1,3,5-triene?
The canonical SMILES for cyclopentacosa-1,3,5-triene is C1=CC=CCCCCCCCCCCCCCCCCCCCC=C1.
What is the InChIKey of cyclopentacosa-1,3,5-triene?
The InChIKey is PPNGHEKIQKCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44/c1-2-4-6-8-10-12-14-16-18-20-22-24-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-6H,7-25H2.
What are the key properties of cyclopentacosa-1,3,5-triene?
cyclopentacosa-1,3,5-triene has a molecular weight of 344.63 g/mol, XLogP of 9.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentacosa-1,3,5-triene is sourced from PubChem (CID 91129335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).