(E)-1-[(E)-hex-2-enoxy]hex-2-ene

C12H22O — CID 14662781

IUPAC(E)-1-[(E)-hex-2-enoxy]hex-2-ene
SMILESCCC/C=C/COC/C=C/CCC
InChIInChI=1S/C12H22O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b9-7+,10-8+
InChIKeyZKFNGAWFXQGLAS-FIFLTTCUSA-N
MW182.31 g/mol
LogP3.72
Rot. Bonds8

About (E)-1-[(E)-hex-2-enoxy]hex-2-ene

(E)-1-[(E)-hex-2-enoxy]hex-2-ene (PubChem CID 14662781) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (E)-1-[(E)-hex-2-enoxy]hex-2-ene.

Molecular Properties

Compound Name(E)-1-[(E)-hex-2-enoxy]hex-2-ene
PubChem CID14662781
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(E)-1-[(E)-hex-2-enoxy]hex-2-ene
SMILESCCC/C=C/COC/C=C/CCC
InChIInChI=1S/C12H22O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b9-7+,10-8+
InChIKeyZKFNGAWFXQGLAS-FIFLTTCUSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.72
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)-1-[(E)-hex-2-enoxy]hex-2-ene?
The IUPAC name of (E)-1-[(E)-hex-2-enoxy]hex-2-ene (CID 14662781) is (E)-1-[(E)-hex-2-enoxy]hex-2-ene.
What is the SMILES notation for (E)-1-[(E)-hex-2-enoxy]hex-2-ene?
The canonical SMILES for (E)-1-[(E)-hex-2-enoxy]hex-2-ene is CCC/C=C/COC/C=C/CCC.
What is the InChIKey of (E)-1-[(E)-hex-2-enoxy]hex-2-ene?
The InChIKey is ZKFNGAWFXQGLAS-FIFLTTCUSA-N. The full InChI is InChI=1S/C12H22O/c1-3-5-7-9-11-13-12-10-8-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b9-7+,10-8+.
What are the key properties of (E)-1-[(E)-hex-2-enoxy]hex-2-ene?
(E)-1-[(E)-hex-2-enoxy]hex-2-ene has a molecular weight of 182.31 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-hex-2-enoxy]hex-2-ene is sourced from PubChem (CID 14662781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).