1-but-1-enoxybut-1-ene

C8H14O — CID 54078890

IUPAC1-but-1-enoxybut-1-ene
SMILESCCC=COC=CCC
InChIInChI=1S/C8H14O/c1-3-5-7-9-8-6-4-2/h5-8H,3-4H2,1-2H3
InChIKeyMLRCQIICAYVJHD-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.85
Rot. Bonds4

About 1-but-1-enoxybut-1-ene

1-but-1-enoxybut-1-ene (PubChem CID 54078890) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-but-1-enoxybut-1-ene.

Molecular Properties

Compound Name1-but-1-enoxybut-1-ene
PubChem CID54078890
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-but-1-enoxybut-1-ene
SMILESCCC=COC=CCC
InChIInChI=1S/C8H14O/c1-3-5-7-9-8-6-4-2/h5-8H,3-4H2,1-2H3
InChIKeyMLRCQIICAYVJHD-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxybut-1-ene?
The IUPAC name of 1-but-1-enoxybut-1-ene (CID 54078890) is 1-but-1-enoxybut-1-ene.
What is the SMILES notation for 1-but-1-enoxybut-1-ene?
The canonical SMILES for 1-but-1-enoxybut-1-ene is CCC=COC=CCC.
What is the InChIKey of 1-but-1-enoxybut-1-ene?
The InChIKey is MLRCQIICAYVJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-7-9-8-6-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-but-1-enoxybut-1-ene?
1-but-1-enoxybut-1-ene has a molecular weight of 126.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxybut-1-ene is sourced from PubChem (CID 54078890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).