(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene

C15H23F3 — CID 87895276

IUPAC(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene
SMILESC/C=C(\CC/C=C(\C)CCC=C(C)C)C(F)(F)F
InChIInChI=1S/C15H23F3/c1-5-14(15(16,17)18)11-7-10-13(4)9-6-8-12(2)3/h5,8,10H,6-7,9,11H2,1-4H3/b13-10+,14-5+
InChIKeyGJICYOISLNLHKQ-NCLYQNMFSA-N
MW260.34 g/mol
LogP5.97
Rot. Bonds6

About (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene

(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene (PubChem CID 87895276) has the molecular formula C15H23F3 and a molecular weight of 260.34 g/mol. Its IUPAC name is (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene
PubChem CID87895276
Molecular FormulaC15H23F3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene
SMILESC/C=C(\CC/C=C(\C)CCC=C(C)C)C(F)(F)F
InChIInChI=1S/C15H23F3/c1-5-14(15(16,17)18)11-7-10-13(4)9-6-8-12(2)3/h5,8,10H,6-7,9,11H2,1-4H3/b13-10+,14-5+
InChIKeyGJICYOISLNLHKQ-NCLYQNMFSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene?
The IUPAC name of (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene (CID 87895276) is (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene.
What is the SMILES notation for (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene?
The canonical SMILES for (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene is C/C=C(\CC/C=C(\C)CCC=C(C)C)C(F)(F)F.
What is the InChIKey of (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene?
The InChIKey is GJICYOISLNLHKQ-NCLYQNMFSA-N. The full InChI is InChI=1S/C15H23F3/c1-5-14(15(16,17)18)11-7-10-13(4)9-6-8-12(2)3/h5,8,10H,6-7,9,11H2,1-4H3/b13-10+,14-5+.
What are the key properties of (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene?
(6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene has a molecular weight of 260.34 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-2,6-dimethyl-10-(trifluoromethyl)dodeca-2,6,10-triene is sourced from PubChem (CID 87895276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).