4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol

C12H19FO2 — CID 167103519

IUPAC4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol
SMILESC=C(F)/C=C(\CC)COC(=C)CC(C)O
InChIInChI=1S/C12H19FO2/c1-5-12(6-9(2)13)8-15-11(4)7-10(3)14/h6,10,14H,2,4-5,7-8H2,1,3H3/b12-6+
InChIKeyQJEAULMXUGINRK-WUXMJOGZSA-N
MW214.28 g/mol
LogP3.11
Rot. Bonds7

About 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol

4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol (PubChem CID 167103519) has the molecular formula C12H19FO2 and a molecular weight of 214.28 g/mol. Its IUPAC name is 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol.

Molecular Properties

Compound Name4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol
PubChem CID167103519
Molecular FormulaC12H19FO2
Molecular Weight214.28 g/mol
Exact Mass214.14
IUPAC Name4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol
SMILESC=C(F)/C=C(\CC)COC(=C)CC(C)O
InChIInChI=1S/C12H19FO2/c1-5-12(6-9(2)13)8-15-11(4)7-10(3)14/h6,10,14H,2,4-5,7-8H2,1,3H3/b12-6+
InChIKeyQJEAULMXUGINRK-WUXMJOGZSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol?
The IUPAC name of 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol (CID 167103519) is 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol.
What is the SMILES notation for 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol?
The canonical SMILES for 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol is C=C(F)/C=C(\CC)COC(=C)CC(C)O.
What is the InChIKey of 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol?
The InChIKey is QJEAULMXUGINRK-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H19FO2/c1-5-12(6-9(2)13)8-15-11(4)7-10(3)14/h6,10,14H,2,4-5,7-8H2,1,3H3/b12-6+.
What are the key properties of 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol?
4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol has a molecular weight of 214.28 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol is sourced from PubChem (CID 167103519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).