4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene

C11H19F3O — CID 123447482

IUPAC4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene
SMILESCCCC(C)C(C)C=C(C)OC(F)(F)F
InChIInChI=1S/C11H19F3O/c1-5-6-8(2)9(3)7-10(4)15-11(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeySCERMGMHPRWWJG-UHFFFAOYSA-N
MW224.27 g/mol
LogP4.50
Rot. Bonds5

About 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene

4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene (PubChem CID 123447482) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene
PubChem CID123447482
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene
SMILESCCCC(C)C(C)C=C(C)OC(F)(F)F
InChIInChI=1S/C11H19F3O/c1-5-6-8(2)9(3)7-10(4)15-11(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeySCERMGMHPRWWJG-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene (CID 123447482) is 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene is CCCC(C)C(C)C=C(C)OC(F)(F)F.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
The InChIKey is SCERMGMHPRWWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-5-6-8(2)9(3)7-10(4)15-11(12,13)14/h7-9H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene?
4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene has a molecular weight of 224.27 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethoxy)oct-2-ene is sourced from PubChem (CID 123447482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).