6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran

C15H21F3O2 — CID 166655114

IUPAC6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran
SMILESC=CC/C(=C\CC1=C(C)OCCC1)COCC(F)(F)F
InChIInChI=1S/C15H21F3O2/c1-3-5-13(10-19-11-15(16,17)18)7-8-14-6-4-9-20-12(14)2/h3,7H,1,4-6,8-11H2,2H3/b13-7+
InChIKeyBGRFEWIQYOYWMV-NTUHNPAUSA-N
MW290.33 g/mol
LogP4.54
Rot. Bonds7

About 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran

6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran (PubChem CID 166655114) has the molecular formula C15H21F3O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran
PubChem CID166655114
Molecular FormulaC15H21F3O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran
SMILESC=CC/C(=C\CC1=C(C)OCCC1)COCC(F)(F)F
InChIInChI=1S/C15H21F3O2/c1-3-5-13(10-19-11-15(16,17)18)7-8-14-6-4-9-20-12(14)2/h3,7H,1,4-6,8-11H2,2H3/b13-7+
InChIKeyBGRFEWIQYOYWMV-NTUHNPAUSA-N
XLogP4.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran (CID 166655114) is 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran is C=CC/C(=C\CC1=C(C)OCCC1)COCC(F)(F)F.
What is the InChIKey of 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran?
The InChIKey is BGRFEWIQYOYWMV-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H21F3O2/c1-3-5-13(10-19-11-15(16,17)18)7-8-14-6-4-9-20-12(14)2/h3,7H,1,4-6,8-11H2,2H3/b13-7+.
What are the key properties of 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran?
6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran has a molecular weight of 290.33 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 166655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).