(E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene

C13H25FO — CID 134375644

IUPAC(E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene
SMILESCCC(C/C=C(\C)COCCF)C(C)C
InChIInChI=1S/C13H25FO/c1-5-13(11(2)3)7-6-12(4)10-15-9-8-14/h6,11,13H,5,7-10H2,1-4H3/b12-6+
InChIKeyMHUCYPSLLWADBR-WUXMJOGZSA-N
MW216.34 g/mol
LogP3.99
Rot. Bonds8

About (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene

(E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene (PubChem CID 134375644) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene.

Molecular Properties

Compound Name(E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene
PubChem CID134375644
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name(E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene
SMILESCCC(C/C=C(\C)COCCF)C(C)C
InChIInChI=1S/C13H25FO/c1-5-13(11(2)3)7-6-12(4)10-15-9-8-14/h6,11,13H,5,7-10H2,1-4H3/b12-6+
InChIKeyMHUCYPSLLWADBR-WUXMJOGZSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene?
The IUPAC name of (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene (CID 134375644) is (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene.
What is the SMILES notation for (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene?
The canonical SMILES for (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene is CCC(C/C=C(\C)COCCF)C(C)C.
What is the InChIKey of (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene?
The InChIKey is MHUCYPSLLWADBR-WUXMJOGZSA-N. The full InChI is InChI=1S/C13H25FO/c1-5-13(11(2)3)7-6-12(4)10-15-9-8-14/h6,11,13H,5,7-10H2,1-4H3/b12-6+.
What are the key properties of (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene?
(E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene has a molecular weight of 216.34 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-1-(2-fluoroethoxy)-2,6-dimethylhept-2-ene is sourced from PubChem (CID 134375644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).