3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene

C11H19F3O — CID 87159470

IUPAC3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene
SMILESC=C(OC(C)(C)C)C(C)(CC)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-7-10(6,11(12,13)14)8(2)15-9(3,4)5/h2,7H2,1,3-6H3
InChIKeyMYSUSVKEGYLNPX-UHFFFAOYSA-N
MW224.27 g/mol
LogP4.29
Rot. Bonds3

About 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene

3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene (PubChem CID 87159470) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene
PubChem CID87159470
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene
SMILESC=C(OC(C)(C)C)C(C)(CC)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-7-10(6,11(12,13)14)8(2)15-9(3,4)5/h2,7H2,1,3-6H3
InChIKeyMYSUSVKEGYLNPX-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.29
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 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene?
The IUPAC name of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene (CID 87159470) is 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene is C=C(OC(C)(C)C)C(C)(CC)C(F)(F)F.
What is the InChIKey of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene?
The InChIKey is MYSUSVKEGYLNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-7-10(6,11(12,13)14)8(2)15-9(3,4)5/h2,7H2,1,3-6H3.
What are the key properties of 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene?
3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene has a molecular weight of 224.27 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 87159470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).