cyclotetracosa-1,3,5-triene

C24H42 — CID 54104094

IUPACcyclotetracosa-1,3,5-triene
SMILESC1=CC=CCCCCCCCCCCCCCCCCCCC=C1
InChIInChI=1S/C24H42/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-6H,7-24H2
InChIKeyNCNDOVQGKUNRKK-UHFFFAOYSA-N
MW330.60 g/mol
LogP8.69
Rot. Bonds

About cyclotetracosa-1,3,5-triene

cyclotetracosa-1,3,5-triene (PubChem CID 54104094) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is cyclotetracosa-1,3,5-triene.

Molecular Properties

Compound Namecyclotetracosa-1,3,5-triene
PubChem CID54104094
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Namecyclotetracosa-1,3,5-triene
SMILESC1=CC=CCCCCCCCCCCCCCCCCCCC=C1
InChIInChI=1S/C24H42/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-6H,7-24H2
InChIKeyNCNDOVQGKUNRKK-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclotetracosa-1,3,5-triene?
The IUPAC name of cyclotetracosa-1,3,5-triene (CID 54104094) is cyclotetracosa-1,3,5-triene.
What is the SMILES notation for cyclotetracosa-1,3,5-triene?
The canonical SMILES for cyclotetracosa-1,3,5-triene is C1=CC=CCCCCCCCCCCCCCCCCCCC=C1.
What is the InChIKey of cyclotetracosa-1,3,5-triene?
The InChIKey is NCNDOVQGKUNRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-6H,7-24H2.
What are the key properties of cyclotetracosa-1,3,5-triene?
cyclotetracosa-1,3,5-triene has a molecular weight of 330.60 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetracosa-1,3,5-triene is sourced from PubChem (CID 54104094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).