(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene

C11H19FO — CID 142309223

IUPAC(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene
SMILESCC/C(C)=C\C=C(/C)COCCF
InChIInChI=1S/C11H19FO/c1-4-10(2)5-6-11(3)9-13-8-7-12/h5-6H,4,7-9H2,1-3H3/b10-5-,11-6+
InChIKeyABCAJTPHGVTBHH-JZKFVHIFSA-N
MW186.27 g/mol
LogP3.28
Rot. Bonds6

About (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene

(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene (PubChem CID 142309223) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene
PubChem CID142309223
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene
SMILESCC/C(C)=C\C=C(/C)COCCF
InChIInChI=1S/C11H19FO/c1-4-10(2)5-6-11(3)9-13-8-7-12/h5-6H,4,7-9H2,1-3H3/b10-5-,11-6+
InChIKeyABCAJTPHGVTBHH-JZKFVHIFSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-1-Ethoxy-3,7-dimethyl-2,6-octadiene
CID 5365847
2,6-Octadiene, 1-ethoxy-3,7-dimethyl-, (2Z)-
CID 6436546
1-Ethoxy-3,7-dimethylocta-2,6-diene
CID 38415
(3E,7E,11E)-3,7,11-trimethyl-1-oxacyclotrideca-3,7,11-triene
CID 13966975
2-Butoxy-4-ethyl-1,3-hexadiene
CID 14296314
(Z)-1-ethoxy-3-methylpent-2-ene
CID 14939545
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
4,4,5,5,5-Pentafluoro-3-methyl-1-propoxypent-2-ene
CID 91172878
1-Ethoxy-4,4,5,5,5-pentafluoro-3-methylpent-2-ene
CID 91449879
5-Fluoro-2-(methoxymethyl)cyclohexa-1,3-diene
CID 117790550
(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
CID 118190307
2-Fluoro-5-methoxy-4-methylhepta-1,3,5-triene
CID 123272230

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?
The IUPAC name of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene (CID 142309223) is (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene.
What is the SMILES notation for (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?
The canonical SMILES for (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene is CC/C(C)=C\C=C(/C)COCCF.
What is the InChIKey of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?
The InChIKey is ABCAJTPHGVTBHH-JZKFVHIFSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-10(2)5-6-11(3)9-13-8-7-12/h5-6H,4,7-9H2,1-3H3/b10-5-,11-6+.
What are the key properties of (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene?
(2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene has a molecular weight of 186.27 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-(2-fluoroethoxy)-2,5-dimethylhepta-2,4-diene is sourced from PubChem (CID 142309223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).