(E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene

C11H20O2 — CID 6437580

IUPAC(E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene
SMILESC/C=C/COC(CC)OC/C=C/C
InChIInChI=1S/C11H20O2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-5,7-8,11H,6,9-10H2,1-3H3/b7-4+,8-5+
InChIKeyIGJKAEWELWCXNL-NSLJXJERSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds7

About (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene

(E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene (PubChem CID 6437580) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene.

Molecular Properties

Compound Name(E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene
PubChem CID6437580
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene
SMILESC/C=C/COC(CC)OC/C=C/C
InChIInChI=1S/C11H20O2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-5,7-8,11H,6,9-10H2,1-3H3/b7-4+,8-5+
InChIKeyIGJKAEWELWCXNL-NSLJXJERSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[1-[(E)-but-2-enoxy]propoxy]but-2-ene?
The IUPAC name of (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene (CID 6437580) is (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene.
What is the SMILES notation for (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene?
The canonical SMILES for (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene is C/C=C/COC(CC)OC/C=C/C.
What is the InChIKey of (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene?
The InChIKey is IGJKAEWELWCXNL-NSLJXJERSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-7-9-12-11(6-3)13-10-8-5-2/h4-5,7-8,11H,6,9-10H2,1-3H3/b7-4+,8-5+.
What are the key properties of (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene?
(E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene has a molecular weight of 184.28 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-[(E)-but-2-enoxy]propoxy]but-2-ene is sourced from PubChem (CID 6437580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).