2-but-1-ynyl-5-ethylfuran

C10H12O — CID 12504183

IUPAC2-but-1-ynyl-5-ethylfuran
SMILESCCC#Cc1ccc(CC)o1
InChIInChI=1S/C10H12O/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-4H2,1-2H3
InChIKeyXMDBUZMJQDBUOX-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.60
Rot. Bonds1

About 2-but-1-ynyl-5-ethylfuran

2-but-1-ynyl-5-ethylfuran (PubChem CID 12504183) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-but-1-ynyl-5-ethylfuran.

Molecular Properties

Compound Name2-but-1-ynyl-5-ethylfuran
PubChem CID12504183
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-but-1-ynyl-5-ethylfuran
SMILESCCC#Cc1ccc(CC)o1
InChIInChI=1S/C10H12O/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-4H2,1-2H3
InChIKeyXMDBUZMJQDBUOX-UHFFFAOYSA-N
XLogP2.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-ynyl-5-ethylfuran?
The IUPAC name of 2-but-1-ynyl-5-ethylfuran (CID 12504183) is 2-but-1-ynyl-5-ethylfuran.
What is the SMILES notation for 2-but-1-ynyl-5-ethylfuran?
The canonical SMILES for 2-but-1-ynyl-5-ethylfuran is CCC#Cc1ccc(CC)o1.
What is the InChIKey of 2-but-1-ynyl-5-ethylfuran?
The InChIKey is XMDBUZMJQDBUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-3-5-6-10-8-7-9(4-2)11-10/h7-8H,3-4H2,1-2H3.
What are the key properties of 2-but-1-ynyl-5-ethylfuran?
2-but-1-ynyl-5-ethylfuran has a molecular weight of 148.20 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-ynyl-5-ethylfuran is sourced from PubChem (CID 12504183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).