4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol

C18H33F5O3 — CID 126488956

IUPAC4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol
SMILESCC(C)C(C)COC(C)(C)C(C)C(C)(CO)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C18H33F5O3/c1-12(2)13(3)8-26-15(5,6)14(4)16(7,9-24)10-25-11-17(19,20)18(21,22)23/h12-14,24H,8-11H2,1-7H3
InChIKeyXJIJCSLIZCPFTM-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.92
Rot. Bonds11

About 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol

4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol (PubChem CID 126488956) has the molecular formula C18H33F5O3 and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol.

Molecular Properties

Compound Name4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol
PubChem CID126488956
Molecular FormulaC18H33F5O3
Molecular Weight392.45 g/mol
Exact Mass392.23
IUPAC Name4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol
SMILESCC(C)C(C)COC(C)(C)C(C)C(C)(CO)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C18H33F5O3/c1-12(2)13(3)8-26-15(5,6)14(4)16(7,9-24)10-25-11-17(19,20)18(21,22)23/h12-14,24H,8-11H2,1-7H3
InChIKeyXJIJCSLIZCPFTM-UHFFFAOYSA-N
XLogP4.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-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-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol?
The IUPAC name of 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol (CID 126488956) is 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol.
What is the SMILES notation for 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol?
The canonical SMILES for 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol is CC(C)C(C)COC(C)(C)C(C)C(C)(CO)COCC(F)(F)C(F)(F)F.
What is the InChIKey of 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol?
The InChIKey is XJIJCSLIZCPFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F5O3/c1-12(2)13(3)8-26-15(5,6)14(4)16(7,9-24)10-25-11-17(19,20)18(21,22)23/h12-14,24H,8-11H2,1-7H3.
What are the key properties of 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol?
4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol has a molecular weight of 392.45 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutoxy)-2,3,4-trimethyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)pentan-1-ol is sourced from PubChem (CID 126488956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).