6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol

C13H23F3O3 — CID 19389372

IUPAC6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol
SMILESCCCCCCOC1CC(C)C(O)C(C(F)(F)F)O1
InChIInChI=1S/C13H23F3O3/c1-3-4-5-6-7-18-10-8-9(2)11(17)12(19-10)13(14,15)16/h9-12,17H,3-8H2,1-2H3
InChIKeyQKZLIYYDNJPFBD-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.26
Rot. Bonds6

About 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol

6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol (PubChem CID 19389372) has the molecular formula C13H23F3O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol.

Molecular Properties

Compound Name6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol
PubChem CID19389372
Molecular FormulaC13H23F3O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Name6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol
SMILESCCCCCCOC1CC(C)C(O)C(C(F)(F)F)O1
InChIInChI=1S/C13H23F3O3/c1-3-4-5-6-7-18-10-8-9(2)11(17)12(19-10)13(14,15)16/h9-12,17H,3-8H2,1-2H3
InChIKeyQKZLIYYDNJPFBD-UHFFFAOYSA-N
XLogP3.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol?
The IUPAC name of 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol (CID 19389372) is 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol.
What is the SMILES notation for 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol?
The canonical SMILES for 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol is CCCCCCOC1CC(C)C(O)C(C(F)(F)F)O1.
What is the InChIKey of 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol?
The InChIKey is QKZLIYYDNJPFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O3/c1-3-4-5-6-7-18-10-8-9(2)11(17)12(19-10)13(14,15)16/h9-12,17H,3-8H2,1-2H3.
What are the key properties of 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol?
6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol has a molecular weight of 284.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-4-methyl-2-(trifluoromethyl)oxan-3-ol is sourced from PubChem (CID 19389372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).