4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol

C14H25F3O2 — CID 103028419

IUPAC4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol
SMILESCOC(C)(C)CCC(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3O2/c1-13(2,19-3)9-8-12(18)10-6-4-5-7-11(10)14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyGDFYHRBLYIUVRR-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.92
Rot. Bonds5

About 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol

4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol (PubChem CID 103028419) has the molecular formula C14H25F3O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol
PubChem CID103028419
Molecular FormulaC14H25F3O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol
SMILESCOC(C)(C)CCC(O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C14H25F3O2/c1-13(2,19-3)9-8-12(18)10-6-4-5-7-11(10)14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeyGDFYHRBLYIUVRR-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]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-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol (CID 103028419) is 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol is COC(C)(C)CCC(O)C1CCCCC1C(F)(F)F.
What is the InChIKey of 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol?
The InChIKey is GDFYHRBLYIUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2/c1-13(2,19-3)9-8-12(18)10-6-4-5-7-11(10)14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol?
4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-ol is sourced from PubChem (CID 103028419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).