cyclododeca-1,3,5-triene

C12H18 — CID 53421619

IUPACcyclododeca-1,3,5-triene
SMILESC1=CC=CCCCCCCC=C1
InChIInChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H,7-12H2
InChIKeyXRLIZCVYAYNXIF-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About cyclododeca-1,3,5-triene

cyclododeca-1,3,5-triene (PubChem CID 53421619) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is cyclododeca-1,3,5-triene.

Molecular Properties

Compound Namecyclododeca-1,3,5-triene
PubChem CID53421619
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Namecyclododeca-1,3,5-triene
SMILESC1=CC=CCCCCCCC=C1
InChIInChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H,7-12H2
InChIKeyXRLIZCVYAYNXIF-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclododeca-1,3,5-triene?
The IUPAC name of cyclododeca-1,3,5-triene (CID 53421619) is cyclododeca-1,3,5-triene.
What is the SMILES notation for cyclododeca-1,3,5-triene?
The canonical SMILES for cyclododeca-1,3,5-triene is C1=CC=CCCCCCCC=C1.
What is the InChIKey of cyclododeca-1,3,5-triene?
The InChIKey is XRLIZCVYAYNXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-6H,7-12H2.
What are the key properties of cyclododeca-1,3,5-triene?
cyclododeca-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododeca-1,3,5-triene is sourced from PubChem (CID 53421619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).