4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol

C14H25F3O2 — CID 103028401

IUPAC4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol
SMILESCOC(C)(C)CCC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3O2/c1-13(2,19-3)8-7-12(18)10-5-4-6-11(9-10)14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeySSLUWCBHRHCGDG-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.92
Rot. Bonds5

About 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol

4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol (PubChem CID 103028401) has the molecular formula C14H25F3O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol
PubChem CID103028401
Molecular FormulaC14H25F3O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol
SMILESCOC(C)(C)CCC(O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H25F3O2/c1-13(2,19-3)8-7-12(18)10-5-4-6-11(9-10)14(15,16)17/h10-12,18H,4-9H2,1-3H3
InChIKeySSLUWCBHRHCGDG-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-[3-(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

Related Compounds

(2R)-6-ethyl-1,1,1-trifluorooctan-2-ol
CID 18396354
6-Ethyl-1,1,1-trifluorooctan-2-ol
CID 19598551
4-(1,1,1-Trifluoro-2-methoxypropan-2-yl)cyclohexan-1-ol
CID 21252674
1,1,1,9,9,9-Hexafluoro-2,5,6-trimethylnonane-2,8-diol
CID 23571796
1-Cyclohexyl-4,4,4-trifluoro-3-(trifluoromethyl)butane-1,3-diol
CID 23634971
(1S)-1-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 57580303
(1R)-1-(4,4-difluorocyclohexyl)-2-methylpropan-1-ol
CID 57580352
2-(3,3,3-Trifluoro-2-hydroxy-2-methylpropyl)cyclohexan-1-ol
CID 57641542
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-methylbutan-2-yloxy)cyclohexyl]propan-2-ol
CID 57777049
2-[3-Butan-2-yloxy-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57777052
3-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-5-(2-hydroxypropan-2-yl)cyclohexan-1-ol
CID 58388552
1-[4-(Trifluoromethyl)cyclohexyl]ethanol
CID 58413445

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol (CID 103028401) is 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol is COC(C)(C)CCC(O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol?
The InChIKey is SSLUWCBHRHCGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O2/c1-13(2,19-3)8-7-12(18)10-5-4-6-11(9-10)14(15,16)17/h10-12,18H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol?
4-methoxy-4-methyl-1-[3-(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-[3-(trifluoromethyl)cyclohexyl]pentan-1-ol is sourced from PubChem (CID 103028401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).