2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane

C10H15F3O — CID 23405418

IUPAC2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane
SMILESC=CC1(C)CCCC(C)(C(F)(F)F)O1
InChIInChI=1S/C10H15F3O/c1-4-8(2)6-5-7-9(3,14-8)10(11,12)13/h4H,1,5-7H2,2-3H3
InChIKeyKHPVPTXPFLSXLI-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.45
Rot. Bonds1

About 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane

2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane (PubChem CID 23405418) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane.

Molecular Properties

Compound Name2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane
PubChem CID23405418
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane
SMILESC=CC1(C)CCCC(C)(C(F)(F)F)O1
InChIInChI=1S/C10H15F3O/c1-4-8(2)6-5-7-9(3,14-8)10(11,12)13/h4H,1,5-7H2,2-3H3
InChIKeyKHPVPTXPFLSXLI-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane?
The IUPAC name of 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane (CID 23405418) is 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane.
What is the SMILES notation for 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane?
The canonical SMILES for 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane is C=CC1(C)CCCC(C)(C(F)(F)F)O1.
What is the InChIKey of 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane?
The InChIKey is KHPVPTXPFLSXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c1-4-8(2)6-5-7-9(3,14-8)10(11,12)13/h4H,1,5-7H2,2-3H3.
What are the key properties of 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane?
2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane has a molecular weight of 208.22 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,6-dimethyl-6-(trifluoromethyl)oxane is sourced from PubChem (CID 23405418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).