(2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene

C11H17F3O — CID 138748191

IUPAC(2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene
SMILESCC(/C=C\COCC(F)(F)F)=C/C(C)C
InChIInChI=1S/C11H17F3O/c1-9(2)7-10(3)5-4-6-15-8-11(12,13)14/h4-5,7,9H,6,8H2,1-3H3/b5-4-,10-7-
InChIKeyUDLGFYTZSDPVAL-WKBXPBOGSA-N
MW222.25 g/mol
LogP3.72
Rot. Bonds5

About (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene

(2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene (PubChem CID 138748191) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene
PubChem CID138748191
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene
SMILESCC(/C=C\COCC(F)(F)F)=C/C(C)C
InChIInChI=1S/C11H17F3O/c1-9(2)7-10(3)5-4-6-15-8-11(12,13)14/h4-5,7,9H,6,8H2,1-3H3/b5-4-,10-7-
InChIKeyUDLGFYTZSDPVAL-WKBXPBOGSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene?
The IUPAC name of (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene (CID 138748191) is (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene is CC(/C=C\COCC(F)(F)F)=C/C(C)C.
What is the InChIKey of (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene?
The InChIKey is UDLGFYTZSDPVAL-WKBXPBOGSA-N. The full InChI is InChI=1S/C11H17F3O/c1-9(2)7-10(3)5-4-6-15-8-11(12,13)14/h4-5,7,9H,6,8H2,1-3H3/b5-4-,10-7-.
What are the key properties of (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene?
(2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene has a molecular weight of 222.25 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4,6-dimethyl-1-(2,2,2-trifluoroethoxy)hepta-2,4-diene is sourced from PubChem (CID 138748191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).