cycloheptacosa-1,3,5,7,9,11,13,15-octaene

C27H38 — CID 91401488

IUPACcycloheptacosa-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC=CC=CC=CCCCCCCCCCCCC=CC=CC=CC=C1
InChIInChI=1S/C27H38/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-16H,17-27H2
InChIKeyKWDXTXNENRTRCO-UHFFFAOYSA-N
MW362.60 g/mol
LogP8.74
Rot. Bonds

About cycloheptacosa-1,3,5,7,9,11,13,15-octaene

cycloheptacosa-1,3,5,7,9,11,13,15-octaene (PubChem CID 91401488) has the molecular formula C27H38 and a molecular weight of 362.60 g/mol. Its IUPAC name is cycloheptacosa-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Namecycloheptacosa-1,3,5,7,9,11,13,15-octaene
PubChem CID91401488
Molecular FormulaC27H38
Molecular Weight362.60 g/mol
Exact Mass362.30
IUPAC Namecycloheptacosa-1,3,5,7,9,11,13,15-octaene
SMILESC1=CC=CC=CC=CCCCCCCCCCCCC=CC=CC=CC=C1
InChIInChI=1S/C27H38/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-16H,17-27H2
InChIKeyKWDXTXNENRTRCO-UHFFFAOYSA-N
XLogP8.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopentadeca-1,3,5,7,9-pentaene
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cyclohenicosa-1,3,5,7,9,11,13-heptaene
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(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
(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
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CID 91129335

Frequently Asked Questions

What is the IUPAC name of cycloheptacosa-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of cycloheptacosa-1,3,5,7,9,11,13,15-octaene (CID 91401488) is cycloheptacosa-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for cycloheptacosa-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for cycloheptacosa-1,3,5,7,9,11,13,15-octaene is C1=CC=CC=CC=CCCCCCCCCCCCC=CC=CC=CC=C1.
What is the InChIKey of cycloheptacosa-1,3,5,7,9,11,13,15-octaene?
The InChIKey is KWDXTXNENRTRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-16H,17-27H2.
What are the key properties of cycloheptacosa-1,3,5,7,9,11,13,15-octaene?
cycloheptacosa-1,3,5,7,9,11,13,15-octaene has a molecular weight of 362.60 g/mol, XLogP of 8.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptacosa-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 91401488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).