(4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol

C11H15F3O — CID 143334238

IUPAC(4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol
SMILESC=C/C(=C\C(=C/C)C(F)(F)F)CCCO
InChIInChI=1S/C11H15F3O/c1-3-9(6-5-7-15)8-10(4-2)11(12,13)14/h3-4,8,15H,1,5-7H2,2H3/b9-8+,10-4+
InChIKeyJSMMLOOJTWBEDA-FJEDVWLASA-N
MW220.23 g/mol
LogP3.38
Rot. Bonds5

About (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol

(4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol (PubChem CID 143334238) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol
PubChem CID143334238
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol
SMILESC=C/C(=C\C(=C/C)C(F)(F)F)CCCO
InChIInChI=1S/C11H15F3O/c1-3-9(6-5-7-15)8-10(4-2)11(12,13)14/h3-4,8,15H,1,5-7H2,2H3/b9-8+,10-4+
InChIKeyJSMMLOOJTWBEDA-FJEDVWLASA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol?
The IUPAC name of (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol (CID 143334238) is (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol.
What is the SMILES notation for (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol?
The canonical SMILES for (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol is C=C/C(=C\C(=C/C)C(F)(F)F)CCCO.
What is the InChIKey of (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol?
The InChIKey is JSMMLOOJTWBEDA-FJEDVWLASA-N. The full InChI is InChI=1S/C11H15F3O/c1-3-9(6-5-7-15)8-10(4-2)11(12,13)14/h3-4,8,15H,1,5-7H2,2H3/b9-8+,10-4+.
What are the key properties of (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol?
(4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol has a molecular weight of 220.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-4-ethenyl-6-(trifluoromethyl)octa-4,6-dien-1-ol is sourced from PubChem (CID 143334238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).