(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene

C15H24 — CID 139597866

IUPAC(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
SMILESCC1=CCC/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10?
InChIKeyXOTMHDVYZZBKEJ-ONARCJLQSA-N
MW204.36 g/mol
LogP5.18
Rot. Bonds

About (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene

(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene (PubChem CID 139597866) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene.

Molecular Properties

Compound Name(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
PubChem CID139597866
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
SMILESCC1=CCC/C(C)=C/CC/C(C)=C/CC1
InChIInChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10?
InChIKeyXOTMHDVYZZBKEJ-ONARCJLQSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene?
The IUPAC name of (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene (CID 139597866) is (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene.
What is the SMILES notation for (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene?
The canonical SMILES for (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene is CC1=CCC/C(C)=C/CC/C(C)=C/CC1.
What is the InChIKey of (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene?
The InChIKey is XOTMHDVYZZBKEJ-ONARCJLQSA-N. The full InChI is InChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7+,14-11+,15-10?.
What are the key properties of (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene?
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene has a molecular weight of 204.36 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene is sourced from PubChem (CID 139597866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).