(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene

C15H21F3O — CID 143346201

IUPAC(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene
SMILESC/C1=C(\OC(F)(F)F)CC/C=C(/CC(C)C)CC=C1
InChIInChI=1S/C15H21F3O/c1-11(2)10-13-7-4-6-12(3)14(9-5-8-13)19-15(16,17)18/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4?,13-8+,14-12+
InChIKeyCHLNQEDUILJUNN-BEORHGMBSA-N
MW274.33 g/mol
LogP5.51
Rot. Bonds3

About (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene

(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene (PubChem CID 143346201) has the molecular formula C15H21F3O and a molecular weight of 274.33 g/mol. Its IUPAC name is (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene.

Molecular Properties

Compound Name(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene
PubChem CID143346201
Molecular FormulaC15H21F3O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene
SMILESC/C1=C(\OC(F)(F)F)CC/C=C(/CC(C)C)CC=C1
InChIInChI=1S/C15H21F3O/c1-11(2)10-13-7-4-6-12(3)14(9-5-8-13)19-15(16,17)18/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4?,13-8+,14-12+
InChIKeyCHLNQEDUILJUNN-BEORHGMBSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.33
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
1-(2,2-Difluoropropoxy)-4-ethyl-5-methylhepta-1,3-diene
CID 90932075
1-Propan-2-yl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 91084115
1-(4-Fluorohexa-2,4-dien-3-yl)-5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123396471
1,5-Dimethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 142222480
(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene
CID 143344039
1-(Difluoromethoxy)-5-(2-methylpropyl)cyclohepta-1,3,5-triene
CID 143345609
Ethane;7-methyl-1-(trifluoromethoxy)cyclohepta-1,3-diene
CID 143573878
(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
CID 144804758
1-Ethyl-5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 152908579
4-Methoxy-5-methyl-1-(trifluoromethyl)cyclohepta-1,3-diene
CID 167200119
(3Z,5E)-6-(difluoromethoxy)-3-propan-2-ylhepta-1,3,5-triene
CID 169200710

Frequently Asked Questions

What is the IUPAC name of (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene?
The IUPAC name of (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene (CID 143346201) is (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene.
What is the SMILES notation for (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene?
The canonical SMILES for (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene is C/C1=C(\OC(F)(F)F)CC/C=C(/CC(C)C)CC=C1.
What is the InChIKey of (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene?
The InChIKey is CHLNQEDUILJUNN-BEORHGMBSA-N. The full InChI is InChI=1S/C15H21F3O/c1-11(2)10-13-7-4-6-12(3)14(9-5-8-13)19-15(16,17)18/h4,6,8,11H,5,7,9-10H2,1-3H3/b6-4?,13-8+,14-12+.
What are the key properties of (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene?
(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene has a molecular weight of 274.33 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene is sourced from PubChem (CID 143346201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).