2-but-3-enoxyfuran

C8H10O2 — CID 57272150

IUPAC2-but-3-enoxyfuran
SMILESC=CCCOc1ccco1
InChIInChI=1S/C8H10O2/c1-2-3-6-9-8-5-4-7-10-8/h2,4-5,7H,1,3,6H2
InChIKeyKDDHJFRTXBCUKQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.23
Rot. Bonds4

About 2-but-3-enoxyfuran

2-but-3-enoxyfuran (PubChem CID 57272150) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-but-3-enoxyfuran.

Molecular Properties

Compound Name2-but-3-enoxyfuran
PubChem CID57272150
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-but-3-enoxyfuran
SMILESC=CCCOc1ccco1
InChIInChI=1S/C8H10O2/c1-2-3-6-9-8-5-4-7-10-8/h2,4-5,7H,1,3,6H2
InChIKeyKDDHJFRTXBCUKQ-UHFFFAOYSA-N
XLogP2.23
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-but-3-enoxyfuran?
The IUPAC name of 2-but-3-enoxyfuran (CID 57272150) is 2-but-3-enoxyfuran.
What is the SMILES notation for 2-but-3-enoxyfuran?
The canonical SMILES for 2-but-3-enoxyfuran is C=CCCOc1ccco1.
What is the InChIKey of 2-but-3-enoxyfuran?
The InChIKey is KDDHJFRTXBCUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-3-6-9-8-5-4-7-10-8/h2,4-5,7H,1,3,6H2.
What are the key properties of 2-but-3-enoxyfuran?
2-but-3-enoxyfuran has a molecular weight of 138.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxyfuran is sourced from PubChem (CID 57272150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).