(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene

C15H25FO3 — CID 155119673

IUPAC(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
SMILESC=C(/C=C(OCCOCC(C)F)\C(=C/C)OC)CC
InChIInChI=1S/C15H25FO3/c1-6-12(3)10-15(14(7-2)17-5)19-9-8-18-11-13(4)16/h7,10,13H,3,6,8-9,11H2,1-2,4-5H3/b14-7+,15-10+
InChIKeyXECHNRRWBWHTJB-IXQOFYBQSA-N
MW272.36 g/mol
LogP3.78
Rot. Bonds10

About (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene

(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene (PubChem CID 155119673) has the molecular formula C15H25FO3 and a molecular weight of 272.36 g/mol. Its IUPAC name is (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
PubChem CID155119673
Molecular FormulaC15H25FO3
Molecular Weight272.36 g/mol
Exact Mass272.18
IUPAC Name(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene
SMILESC=C(/C=C(OCCOCC(C)F)\C(=C/C)OC)CC
InChIInChI=1S/C15H25FO3/c1-6-12(3)10-15(14(7-2)17-5)19-9-8-18-11-13(4)16/h7,10,13H,3,6,8-9,11H2,1-2,4-5H3/b14-7+,15-10+
InChIKeyXECHNRRWBWHTJB-IXQOFYBQSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?
The IUPAC name of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene (CID 155119673) is (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene.
What is the SMILES notation for (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?
The canonical SMILES for (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene is C=C(/C=C(OCCOCC(C)F)\C(=C/C)OC)CC.
What is the InChIKey of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?
The InChIKey is XECHNRRWBWHTJB-IXQOFYBQSA-N. The full InChI is InChI=1S/C15H25FO3/c1-6-12(3)10-15(14(7-2)17-5)19-9-8-18-11-13(4)16/h7,10,13H,3,6,8-9,11H2,1-2,4-5H3/b14-7+,15-10+.
What are the key properties of (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene?
(2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene has a molecular weight of 272.36 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-[2-(2-fluoropropoxy)ethoxy]-3-methoxy-6-methylideneocta-2,4-diene is sourced from PubChem (CID 155119673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).