cyclohenicosa-1,3,5,7,9,11,13-heptaene

C21H28 — CID 90691443

IUPACcyclohenicosa-1,3,5,7,9,11,13-heptaene
SMILESC1=CC=CC=CC=CCCCCCCCC=CC=CC=C1
InChIInChI=1S/C21H28/c1-2-4-6-8-10-12-14-16-18-20-21-19-17-15-13-11-9-7-5-3-1/h1-14H,15-21H2
InChIKeyBLEOXBKIUBVXDV-UHFFFAOYSA-N
MW280.46 g/mol
LogP6.62
Rot. Bonds

About cyclohenicosa-1,3,5,7,9,11,13-heptaene

cyclohenicosa-1,3,5,7,9,11,13-heptaene (PubChem CID 90691443) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is cyclohenicosa-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Namecyclohenicosa-1,3,5,7,9,11,13-heptaene
PubChem CID90691443
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Namecyclohenicosa-1,3,5,7,9,11,13-heptaene
SMILESC1=CC=CC=CC=CCCCCCCCC=CC=CC=C1
InChIInChI=1S/C21H28/c1-2-4-6-8-10-12-14-16-18-20-21-19-17-15-13-11-9-7-5-3-1/h1-14H,15-21H2
InChIKeyBLEOXBKIUBVXDV-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohenicosa-1,3,5,7,9,11,13-heptaene?
The IUPAC name of cyclohenicosa-1,3,5,7,9,11,13-heptaene (CID 90691443) is cyclohenicosa-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for cyclohenicosa-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for cyclohenicosa-1,3,5,7,9,11,13-heptaene is C1=CC=CC=CC=CCCCCCCCC=CC=CC=C1.
What is the InChIKey of cyclohenicosa-1,3,5,7,9,11,13-heptaene?
The InChIKey is BLEOXBKIUBVXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-2-4-6-8-10-12-14-16-18-20-21-19-17-15-13-11-9-7-5-3-1/h1-14H,15-21H2.
What are the key properties of cyclohenicosa-1,3,5,7,9,11,13-heptaene?
cyclohenicosa-1,3,5,7,9,11,13-heptaene has a molecular weight of 280.46 g/mol, XLogP of 6.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohenicosa-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 90691443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).