3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-

C8H10O2 — CID 153818

IUPAC5-ethenyl-2,2-dimethylfuran-3-one
SMILESCC1(C(=O)C=C(O1)C=C)C
InChIInChI=1S/C8H10O2/c1-4-6-5-7(9)8(2,3)10-6/h4-5H,1H2,2-3H3
InChIKeyXWDZOPJMBQTDAX-UHFFFAOYSA-N
MW138.16 g/mol
LogP1.40
Rot. Bonds1

About 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-

3(2H)-Furanone, 5-ethenyl-2,2-dimethyl- (PubChem CID 153818) has the molecular formula C8H10O2 and a molecular weight of 138.16 g/mol. Its IUPAC name is 5-ethenyl-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-
PubChem CID153818
Molecular FormulaC8H10O2
Molecular Weight138.16 g/mol
Exact Mass138.07
IUPAC Name5-ethenyl-2,2-dimethylfuran-3-one
SMILESCC1(C(=O)C=C(O1)C=C)C
InChIInChI=1S/C8H10O2/c1-4-6-5-7(9)8(2,3)10-6/h4-5H,1H2,2-3H3
InChIKeyXWDZOPJMBQTDAX-UHFFFAOYSA-N
XLogP1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-?
The IUPAC name of 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl- (CID 153818) is 5-ethenyl-2,2-dimethylfuran-3-one.
What is the SMILES notation for 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-?
The canonical SMILES for 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl- is CC1(C(=O)C=C(O1)C=C)C.
What is the InChIKey of 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-?
The InChIKey is XWDZOPJMBQTDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-6-5-7(9)8(2,3)10-6/h4-5H,1H2,2-3H3.
What are the key properties of 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl-?
3(2H)-Furanone, 5-ethenyl-2,2-dimethyl- has a molecular weight of 138.16 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3(2H)-Furanone, 5-ethenyl-2,2-dimethyl- is sourced from PubChem (CID 153818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).