(3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene

C11H15F3O — CID 137395680

IUPAC(3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(OC)/C(=C\C(C)=C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-7(2)8(3)6-10(9(4)15-5)11(12,13)14/h6H,4H2,1-3,5H3/b10-6+
InChIKeyOAAAPSROOVIFPB-UXBLZVDNSA-N
MW220.23 g/mol
LogP3.99
Rot. Bonds3

About (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene

(3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 137395680) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID137395680
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(OC)/C(=C\C(C)=C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-7(2)8(3)6-10(9(4)15-5)11(12,13)14/h6H,4H2,1-3,5H3/b10-6+
InChIKeyOAAAPSROOVIFPB-UXBLZVDNSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene (CID 137395680) is (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene is C=C(OC)/C(=C\C(C)=C(C)C)C(F)(F)F.
What is the InChIKey of (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is OAAAPSROOVIFPB-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H15F3O/c1-7(2)8(3)6-10(9(4)15-5)11(12,13)14/h6H,4H2,1-3,5H3/b10-6+.
What are the key properties of (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene?
(3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 220.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methoxy-5,6-dimethyl-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 137395680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).