(6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene

C17H24F6O2 — CID 90238429

IUPAC(6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C17H24F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h6-7,9-10H,5,8,11-12H2,1-4H3/b10-6+,14-9+
InChIKeyYDEVGZQGZJSCGN-WNUTZXNYSA-N
MW374.37 g/mol
LogP6.11
Rot. Bonds9

About (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene

(6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene (PubChem CID 90238429) has the molecular formula C17H24F6O2 and a molecular weight of 374.37 g/mol. Its IUPAC name is (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene.

Molecular Properties

Compound Name(6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene
PubChem CID90238429
Molecular FormulaC17H24F6O2
Molecular Weight374.37 g/mol
Exact Mass374.17
IUPAC Name(6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene
SMILESCC(C)=CCC/C(C)=C/C=C/C(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C17H24F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h6-7,9-10H,5,8,11-12H2,1-4H3/b10-6+,14-9+
InChIKeyYDEVGZQGZJSCGN-WNUTZXNYSA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene?
The IUPAC name of (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene (CID 90238429) is (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene.
What is the SMILES notation for (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene?
The canonical SMILES for (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene is CC(C)=CCC/C(C)=C/C=C/C(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene?
The InChIKey is YDEVGZQGZJSCGN-WNUTZXNYSA-N. The full InChI is InChI=1S/C17H24F6O2/c1-13(2)7-5-8-14(3)9-6-10-15(4,24-11-16(18,19)20)25-12-17(21,22)23/h6-7,9-10H,5,8,11-12H2,1-4H3/b10-6+,14-9+.
What are the key properties of (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene?
(6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene has a molecular weight of 374.37 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E)-2,6-dimethyl-10,10-bis(2,2,2-trifluoroethoxy)undeca-2,6,8-triene is sourced from PubChem (CID 90238429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).