(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene

C11H15FO — CID 89030803

IUPAC(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene
SMILESC/C=C\C(=C/C)O/C=C/C=C(\C)F
InChIInChI=1S/C11H15FO/c1-4-7-11(5-2)13-9-6-8-10(3)12/h4-9H,1-3H3/b7-4-,9-6+,10-8+,11-5+
InChIKeyNAKSLLILGKXZLC-RSDHXQPYSA-N
MW182.24 g/mol
LogP3.87
Rot. Bonds4

About (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene

(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene (PubChem CID 89030803) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene
PubChem CID89030803
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene
SMILESC/C=C\C(=C/C)O/C=C/C=C(\C)F
InChIInChI=1S/C11H15FO/c1-4-7-11(5-2)13-9-6-8-10(3)12/h4-9H,1-3H3/b7-4-,9-6+,10-8+,11-5+
InChIKeyNAKSLLILGKXZLC-RSDHXQPYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene?
The IUPAC name of (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene (CID 89030803) is (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene?
The canonical SMILES for (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene is C/C=C\C(=C/C)O/C=C/C=C(\C)F.
What is the InChIKey of (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene?
The InChIKey is NAKSLLILGKXZLC-RSDHXQPYSA-N. The full InChI is InChI=1S/C11H15FO/c1-4-7-11(5-2)13-9-6-8-10(3)12/h4-9H,1-3H3/b7-4-,9-6+,10-8+,11-5+.
What are the key properties of (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene?
(2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene has a molecular weight of 182.24 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-[(1E,3E)-4-fluoropenta-1,3-dienoxy]hexa-2,4-diene is sourced from PubChem (CID 89030803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).