2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane

C16H23FO3 — CID 144896558

IUPAC2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane
SMILESC=C(OCCC1OCCO1)/C(F)=C/C(=C)/C(=C/C)CC
InChIInChI=1S/C16H23FO3/c1-5-14(6-2)12(3)11-15(17)13(4)18-8-7-16-19-9-10-20-16/h5,11,16H,3-4,6-10H2,1-2H3/b14-5+,15-11+
InChIKeyFKSKQCABGOWHRL-RSQSKZAESA-N
MW282.36 g/mol
LogP4.05
Rot. Bonds8

About 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane

2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane (PubChem CID 144896558) has the molecular formula C16H23FO3 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane
PubChem CID144896558
Molecular FormulaC16H23FO3
Molecular Weight282.36 g/mol
Exact Mass282.16
IUPAC Name2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane
SMILESC=C(OCCC1OCCO1)/C(F)=C/C(=C)/C(=C/C)CC
InChIInChI=1S/C16H23FO3/c1-5-14(6-2)12(3)11-15(17)13(4)18-8-7-16-19-9-10-20-16/h5,11,16H,3-4,6-10H2,1-2H3/b14-5+,15-11+
InChIKeyFKSKQCABGOWHRL-RSQSKZAESA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane (CID 144896558) is 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane is C=C(OCCC1OCCO1)/C(F)=C/C(=C)/C(=C/C)CC.
What is the InChIKey of 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane?
The InChIKey is FKSKQCABGOWHRL-RSQSKZAESA-N. The full InChI is InChI=1S/C16H23FO3/c1-5-14(6-2)12(3)11-15(17)13(4)18-8-7-16-19-9-10-20-16/h5,11,16H,3-4,6-10H2,1-2H3/b14-5+,15-11+.
What are the key properties of 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane?
2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane has a molecular weight of 282.36 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3E,6E)-6-ethyl-3-fluoro-5-methylideneocta-1,3,6-trien-2-yl]oxyethyl]-1,3-dioxolane is sourced from PubChem (CID 144896558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).