5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one

C10H14O2 — CID 11062763

IUPAC5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one
SMILESC/C=C(\C)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C10H14O2/c1-5-7(2)8-6-9(11)10(3,4)12-8/h5-6H,1-4H3/b7-5+
InChIKeyIBVMJBOJAXWZGW-FNORWQNLSA-N
MW166.22 g/mol
LogP2.21
Rot. Bonds1

About 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one

5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one (PubChem CID 11062763) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one
PubChem CID11062763
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one
SMILESC/C=C(\C)C1=CC(=O)C(C)(C)O1
InChIInChI=1S/C10H14O2/c1-5-7(2)8-6-9(11)10(3,4)12-8/h5-6H,1-4H3/b7-5+
InChIKeyIBVMJBOJAXWZGW-FNORWQNLSA-N
XLogP2.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one?
The IUPAC name of 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one (CID 11062763) is 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one.
What is the SMILES notation for 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one?
The canonical SMILES for 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one is C/C=C(\C)C1=CC(=O)C(C)(C)O1.
What is the InChIKey of 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one?
The InChIKey is IBVMJBOJAXWZGW-FNORWQNLSA-N. The full InChI is InChI=1S/C10H14O2/c1-5-7(2)8-6-9(11)10(3,4)12-8/h5-6H,1-4H3/b7-5+.
What are the key properties of 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one?
5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one has a molecular weight of 166.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-but-2-en-2-yl]-2,2-dimethylfuran-3-one is sourced from PubChem (CID 11062763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).