(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3,7-Dimethyl-1-(2-methylpropoxy)-2,6-octadiene
CID 163184442
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554
1-Methoxy-2,6-dimethylocta-2,7-diene
CID 54286528
1-Ethoxy-3,6-dimethyl-2,7-octadiene
CID 87448288
1-Butoxy-2,6-dimethyl-2,7-octadiene
CID 91083555
3,6-Dimethyl-1-propoxy-2,7-octadiene
CID 91496108
(6E)-3,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015261
7-(Fluoromethoxy)-3,4-dimethyldec-5-ene
CID 90964698
(Z,5Z)-1,1,1-trifluoro-5-(2-methoxyethylidene)-2,6,7-trimethyloct-3-ene
CID 91350646
(2E,4Z)-3-fluoro-1-methoxy-7-methyl-6-methylidenenona-2,4-diene
CID 129196432
(E)-1-[(E)-3,4-difluorobut-2-enoxy]-1,1,3-trifluoro-2,5-dimethyloct-3-ene
CID 146259561
3,7-Dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 131885977

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).