cyclododeca-1,2,4,5,7,8,10,11-octaene

C12H8 — CID 101180476

IUPACcyclododeca-1,2,4,5,7,8,10,11-octaene
SMILESC1=CC=C=CC=C=CC=C=CC=1
InChIInChI=1S/C12H8/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,5-8,11-12H
InChIKeyQEMXTWCIEZGPHA-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.85
Rot. Bonds

About cyclododeca-1,2,4,5,7,8,10,11-octaene

cyclododeca-1,2,4,5,7,8,10,11-octaene (PubChem CID 101180476) has the molecular formula C12H8 and a molecular weight of 152.20 g/mol. Its IUPAC name is cyclododeca-1,2,4,5,7,8,10,11-octaene.

Molecular Properties

Compound Namecyclododeca-1,2,4,5,7,8,10,11-octaene
PubChem CID101180476
Molecular FormulaC12H8
Molecular Weight152.20 g/mol
Exact Mass152.06
IUPAC Namecyclododeca-1,2,4,5,7,8,10,11-octaene
SMILESC1=CC=C=CC=C=CC=C=CC=1
InChIInChI=1S/C12H8/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,5-8,11-12H
InChIKeyQEMXTWCIEZGPHA-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclododeca-1,2,4,5,7,8,10,11-octaene?
The IUPAC name of cyclododeca-1,2,4,5,7,8,10,11-octaene (CID 101180476) is cyclododeca-1,2,4,5,7,8,10,11-octaene.
What is the SMILES notation for cyclododeca-1,2,4,5,7,8,10,11-octaene?
The canonical SMILES for cyclododeca-1,2,4,5,7,8,10,11-octaene is C1=CC=C=CC=C=CC=C=CC=1.
What is the InChIKey of cyclododeca-1,2,4,5,7,8,10,11-octaene?
The InChIKey is QEMXTWCIEZGPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,5-8,11-12H.
What are the key properties of cyclododeca-1,2,4,5,7,8,10,11-octaene?
cyclododeca-1,2,4,5,7,8,10,11-octaene has a molecular weight of 152.20 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododeca-1,2,4,5,7,8,10,11-octaene is sourced from PubChem (CID 101180476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).