1-[(E)-but-2-en-2-yl]oxybutane

C8H16O — CID 14617784

IUPAC1-[(E)-but-2-en-2-yl]oxybutane
SMILESC/C=C(\C)OCCCC
InChIInChI=1S/C8H16O/c1-4-6-7-9-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyRDLUGROSYAIXKX-VMPITWQZSA-N
MW128.21 g/mol
LogP2.73
Rot. Bonds4

About 1-[(E)-but-2-en-2-yl]oxybutane

1-[(E)-but-2-en-2-yl]oxybutane (PubChem CID 14617784) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]oxybutane.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]oxybutane
PubChem CID14617784
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name1-[(E)-but-2-en-2-yl]oxybutane
SMILESC/C=C(\C)OCCCC
InChIInChI=1S/C8H16O/c1-4-6-7-9-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
InChIKeyRDLUGROSYAIXKX-VMPITWQZSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]oxybutane?
The IUPAC name of 1-[(E)-but-2-en-2-yl]oxybutane (CID 14617784) is 1-[(E)-but-2-en-2-yl]oxybutane.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]oxybutane?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]oxybutane is C/C=C(\C)OCCCC.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]oxybutane?
The InChIKey is RDLUGROSYAIXKX-VMPITWQZSA-N. The full InChI is InChI=1S/C8H16O/c1-4-6-7-9-8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+.
What are the key properties of 1-[(E)-but-2-en-2-yl]oxybutane?
1-[(E)-but-2-en-2-yl]oxybutane has a molecular weight of 128.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]oxybutane is sourced from PubChem (CID 14617784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).