1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol

C15H27F3O2 — CID 116755518

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol
SMILESCCOC1(C(O)CCCC(F)(F)F)CCC(C)(C)CC1
InChIInChI=1S/C15H27F3O2/c1-4-20-14(10-8-13(2,3)9-11-14)12(19)6-5-7-15(16,17)18/h12,19H,4-11H2,1-3H3
InChIKeyBQJJIAALOUCWLR-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.46
Rot. Bonds6

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol

1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 116755518) has the molecular formula C15H27F3O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol
PubChem CID116755518
Molecular FormulaC15H27F3O2
Molecular Weight296.37 g/mol
Exact Mass296.20
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol
SMILESCCOC1(C(O)CCCC(F)(F)F)CCC(C)(C)CC1
InChIInChI=1S/C15H27F3O2/c1-4-20-14(10-8-13(2,3)9-11-14)12(19)6-5-7-15(16,17)18/h12,19H,4-11H2,1-3H3
InChIKeyBQJJIAALOUCWLR-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol (CID 116755518) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol is CCOC1(C(O)CCCC(F)(F)F)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is BQJJIAALOUCWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O2/c1-4-20-14(10-8-13(2,3)9-11-14)12(19)6-5-7-15(16,17)18/h12,19H,4-11H2,1-3H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 116755518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).