4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol

C15H27F3O3 — CID 126561624

IUPAC4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol
SMILESCC(COCC(C(C)C)C(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C15H27F3O3/c1-11(2)13(15(16,17)18)10-21-9-12(3)8-14(19)4-6-20-7-5-14/h11-13,19H,4-10H2,1-3H3
InChIKeyLPNYNBTZBPEHEQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.41
Rot. Bonds7

About 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol

4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol (PubChem CID 126561624) has the molecular formula C15H27F3O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol.

Molecular Properties

Compound Name4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol
PubChem CID126561624
Molecular FormulaC15H27F3O3
Molecular Weight312.37 g/mol
Exact Mass312.19
IUPAC Name4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol
SMILESCC(COCC(C(C)C)C(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C15H27F3O3/c1-11(2)13(15(16,17)18)10-21-9-12(3)8-14(19)4-6-20-7-5-14/h11-13,19H,4-10H2,1-3H3
InChIKeyLPNYNBTZBPEHEQ-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol?
The IUPAC name of 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol (CID 126561624) is 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol.
What is the SMILES notation for 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol?
The canonical SMILES for 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol is CC(COCC(C(C)C)C(F)(F)F)CC1(O)CCOCC1.
What is the InChIKey of 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol?
The InChIKey is LPNYNBTZBPEHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O3/c1-11(2)13(15(16,17)18)10-21-9-12(3)8-14(19)4-6-20-7-5-14/h11-13,19H,4-10H2,1-3H3.
What are the key properties of 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol?
4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol has a molecular weight of 312.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[3-methyl-2-(trifluoromethyl)butoxy]propyl]oxan-4-ol is sourced from PubChem (CID 126561624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).