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

C8H14O — CID 14533154

IUPAC(E)-1-[(E)-but-2-enoxy]but-2-ene
SMILESC/C=C/COC/C=C/C
InChIInChI=1S/C8H14O/c1-3-5-7-9-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyFXCXOKOKILDXCL-GGWOSOGESA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds4

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

(E)-1-[(E)-but-2-enoxy]but-2-ene (PubChem CID 14533154) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-1-[(E)-but-2-enoxy]but-2-ene.

Molecular Properties

Compound Name(E)-1-[(E)-but-2-enoxy]but-2-ene
PubChem CID14533154
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(E)-1-[(E)-but-2-enoxy]but-2-ene
SMILESC/C=C/COC/C=C/C
InChIInChI=1S/C8H14O/c1-3-5-7-9-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyFXCXOKOKILDXCL-GGWOSOGESA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
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)-but-2-enoxy]but-2-ene?
The IUPAC name of (E)-1-[(E)-but-2-enoxy]but-2-ene (CID 14533154) is (E)-1-[(E)-but-2-enoxy]but-2-ene.
What is the SMILES notation for (E)-1-[(E)-but-2-enoxy]but-2-ene?
The canonical SMILES for (E)-1-[(E)-but-2-enoxy]but-2-ene is C/C=C/COC/C=C/C.
What is the InChIKey of (E)-1-[(E)-but-2-enoxy]but-2-ene?
The InChIKey is FXCXOKOKILDXCL-GGWOSOGESA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-7-9-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-1-[(E)-but-2-enoxy]but-2-ene?
(E)-1-[(E)-but-2-enoxy]but-2-ene has a molecular weight of 126.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(E)-but-2-enoxy]but-2-ene is sourced from PubChem (CID 14533154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).