(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol

C11H15F3O — CID 143740867

IUPAC(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol
SMILESC=C(CCC)/C(O)=C\C(=C/C)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-4-6-8(3)10(15)7-9(5-2)11(12,13)14/h5,7,15H,3-4,6H2,1-2H3/b9-5+,10-7+
InChIKeySXUNVGWQSWONAT-FWMCCXIMSA-N
MW220.23 g/mol
LogP4.29
Rot. Bonds4

About (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol

(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol (PubChem CID 143740867) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol.

Molecular Properties

Compound Name(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol
PubChem CID143740867
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol
SMILESC=C(CCC)/C(O)=C\C(=C/C)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-4-6-8(3)10(15)7-9(5-2)11(12,13)14/h5,7,15H,3-4,6H2,1-2H3/b9-5+,10-7+
InChIKeySXUNVGWQSWONAT-FWMCCXIMSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol?
The IUPAC name of (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol (CID 143740867) is (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol.
What is the SMILES notation for (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol?
The canonical SMILES for (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol is C=C(CCC)/C(O)=C\C(=C/C)C(F)(F)F.
What is the InChIKey of (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol?
The InChIKey is SXUNVGWQSWONAT-FWMCCXIMSA-N. The full InChI is InChI=1S/C11H15F3O/c1-4-6-8(3)10(15)7-9(5-2)11(12,13)14/h5,7,15H,3-4,6H2,1-2H3/b9-5+,10-7+.
What are the key properties of (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol?
(2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol has a molecular weight of 220.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-methylidene-3-(trifluoromethyl)nona-2,4-dien-5-ol is sourced from PubChem (CID 143740867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).