2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran

C9H14O — CID 11446369

IUPAC2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
SMILESC/C=C(\C)C1OCC=C1C
InChIInChI=1S/C9H14O/c1-4-7(2)9-8(3)5-6-10-9/h4-5,9H,6H2,1-3H3/b7-4+
InChIKeyXKUWZBDIOAZASA-QPJJXVBHSA-N
MW138.21 g/mol
LogP2.30
Rot. Bonds1

About 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran

2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran (PubChem CID 11446369) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
PubChem CID11446369
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran
SMILESC/C=C(\C)C1OCC=C1C
InChIInChI=1S/C9H14O/c1-4-7(2)9-8(3)5-6-10-9/h4-5,9H,6H2,1-3H3/b7-4+
InChIKeyXKUWZBDIOAZASA-QPJJXVBHSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran (CID 11446369) is 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran is C/C=C(\C)C1OCC=C1C.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran?
The InChIKey is XKUWZBDIOAZASA-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H14O/c1-4-7(2)9-8(3)5-6-10-9/h4-5,9H,6H2,1-3H3/b7-4+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran?
2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran has a molecular weight of 138.21 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-3-methyl-2,5-dihydrofuran is sourced from PubChem (CID 11446369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).