(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene

C14H18F2O — CID 134568526

IUPAC(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)CC)C(=C)OC(=C)C(F)F
InChIInChI=1S/C14H18F2O/c1-6-10(3)8-9-13(7-2)11(4)17-12(5)14(15)16/h7-9,14H,2,4-6H2,1,3H3/b10-8+,13-9+
InChIKeyGMEGZCUWXCATDE-IAQVKYGWSA-N
MW240.29 g/mol
LogP4.76
Rot. Bonds7

About (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene

(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene (PubChem CID 134568526) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene
PubChem CID134568526
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)CC)C(=C)OC(=C)C(F)F
InChIInChI=1S/C14H18F2O/c1-6-10(3)8-9-13(7-2)11(4)17-12(5)14(15)16/h7-9,14H,2,4-6H2,1,3H3/b10-8+,13-9+
InChIKeyGMEGZCUWXCATDE-IAQVKYGWSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
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 (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene?
The IUPAC name of (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene (CID 134568526) is (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene?
The canonical SMILES for (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene is C=C/C(=C\C=C(/C)CC)C(=C)OC(=C)C(F)F.
What is the InChIKey of (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene?
The InChIKey is GMEGZCUWXCATDE-IAQVKYGWSA-N. The full InChI is InChI=1S/C14H18F2O/c1-6-10(3)8-9-13(7-2)11(4)17-12(5)14(15)16/h7-9,14H,2,4-6H2,1,3H3/b10-8+,13-9+.
What are the key properties of (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene?
(3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene has a molecular weight of 240.29 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-2-(3,3-difluoroprop-1-en-2-yloxy)-3-ethenyl-6-methylocta-1,3,5-triene is sourced from PubChem (CID 134568526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).