(2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol

C17H19F3O2 — CID 101353768

IUPAC(2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol
SMILESC=C[C@H]1C[C@@](C)(O)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C17H19F3O2/c1-3-14-10-16(2,21)11-15(22-14)9-6-12-4-7-13(8-5-12)17(18,19)20/h3-9,14-15,21H,1,10-11H2,2H3/b9-6+/t14-,15+,16+/m0/s1
InChIKeyUNMFZYGXVSCJJG-HREYTXOFSA-N
MW312.33 g/mol
LogP4.20
Rot. Bonds3

About (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol

(2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol (PubChem CID 101353768) has the molecular formula C17H19F3O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol
PubChem CID101353768
Molecular FormulaC17H19F3O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name(2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol
SMILESC=C[C@H]1C[C@@](C)(O)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C17H19F3O2/c1-3-14-10-16(2,21)11-15(22-14)9-6-12-4-7-13(8-5-12)17(18,19)20/h3-9,14-15,21H,1,10-11H2,2H3/b9-6+/t14-,15+,16+/m0/s1
InChIKeyUNMFZYGXVSCJJG-HREYTXOFSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
The IUPAC name of (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol (CID 101353768) is (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol.
What is the SMILES notation for (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
The canonical SMILES for (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol is C=C[C@H]1C[C@@](C)(O)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
The InChIKey is UNMFZYGXVSCJJG-HREYTXOFSA-N. The full InChI is InChI=1S/C17H19F3O2/c1-3-14-10-16(2,21)11-15(22-14)9-6-12-4-7-13(8-5-12)17(18,19)20/h3-9,14-15,21H,1,10-11H2,2H3/b9-6+/t14-,15+,16+/m0/s1.
What are the key properties of (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol?
(2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol has a molecular weight of 312.33 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6S)-2-ethenyl-4-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]oxan-4-ol is sourced from PubChem (CID 101353768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).