3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene

C9H15F3O2 — CID 162581575

IUPAC3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene
SMILESC=CC(C)(OCC)C(C)OC(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-5-8(4,13-6-2)7(3)14-9(10,11)12/h5,7H,1,6H2,2-4H3
InChIKeyZZGXAKZGBHTNSB-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.89
Rot. Bonds5

About 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene

3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene (PubChem CID 162581575) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene.

Molecular Properties

Compound Name3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene
PubChem CID162581575
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene
SMILESC=CC(C)(OCC)C(C)OC(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-5-8(4,13-6-2)7(3)14-9(10,11)12/h5,7H,1,6H2,2-4H3
InChIKeyZZGXAKZGBHTNSB-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene?
The IUPAC name of 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene (CID 162581575) is 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene.
What is the SMILES notation for 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene?
The canonical SMILES for 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene is C=CC(C)(OCC)C(C)OC(F)(F)F.
What is the InChIKey of 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene?
The InChIKey is ZZGXAKZGBHTNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-5-8(4,13-6-2)7(3)14-9(10,11)12/h5,7H,1,6H2,2-4H3.
What are the key properties of 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene?
3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene has a molecular weight of 212.21 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-4-(trifluoromethoxy)pent-1-ene is sourced from PubChem (CID 162581575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).