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

C21H28 — CID 173020629

IUPAC(1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene
SMILESC1=CCCCCCCC/C=C/C=C/C=C\C=C/C=C\C=C\1
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/b2-1-,5-3-,6-4-,9-7+,10-8+,13-11+,14-12?
InChIKeyBLEOXBKIUBVXDV-FTPNWFGOSA-N
MW280.46 g/mol
LogP6.62
Rot. Bonds

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

(1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene (PubChem CID 173020629) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name(1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene
PubChem CID173020629
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name(1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene
SMILESC1=CCCCCCCC/C=C/C=C/C=C\C=C/C=C\C=C\1
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/b2-1-,5-3-,6-4-,9-7+,10-8+,13-11+,14-12?
InChIKeyBLEOXBKIUBVXDV-FTPNWFGOSA-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

Analyze (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-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 (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene?
The IUPAC name of (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene (CID 173020629) is (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene is C1=CCCCCCCC/C=C/C=C/C=C\C=C/C=C\C=C\1.
What is the InChIKey of (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene?
The InChIKey is BLEOXBKIUBVXDV-FTPNWFGOSA-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/b2-1-,5-3-,6-4-,9-7+,10-8+,13-11+,14-12?.
What are the key properties of (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene?
(1E,3E,5Z,7Z,9Z,11E)-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 (1E,3E,5Z,7Z,9Z,11E)-cyclohenicosa-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 173020629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).