2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol

C13H25F3O3 — CID 123683623

IUPAC2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCC(C)OCC(C)(COCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C13H25F3O3/c1-10(2)19-8-12(5,6-11(3,4)17)7-18-9-13(14,15)16/h10,17H,6-9H2,1-5H3
InChIKeyMGXVRBXTNSZHCW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.16
Rot. Bonds8

About 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol

2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol (PubChem CID 123683623) has the molecular formula C13H25F3O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol
PubChem CID123683623
Molecular FormulaC13H25F3O3
Molecular Weight286.33 g/mol
Exact Mass286.18
IUPAC Name2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol
SMILESCC(C)OCC(C)(COCC(F)(F)F)CC(C)(C)O
InChIInChI=1S/C13H25F3O3/c1-10(2)19-8-12(5,6-11(3,4)17)7-18-9-13(14,15)16/h10,17H,6-9H2,1-5H3
InChIKeyMGXVRBXTNSZHCW-UHFFFAOYSA-N
XLogP3.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The IUPAC name of 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol (CID 123683623) is 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol is CC(C)OCC(C)(COCC(F)(F)F)CC(C)(C)O.
What is the InChIKey of 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
The InChIKey is MGXVRBXTNSZHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O3/c1-10(2)19-8-12(5,6-11(3,4)17)7-18-9-13(14,15)16/h10,17H,6-9H2,1-5H3.
What are the key properties of 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol?
2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol has a molecular weight of 286.33 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(propan-2-yloxymethyl)-5-(2,2,2-trifluoroethoxy)pentan-2-ol is sourced from PubChem (CID 123683623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).