3-ethenyl-5,5-dimethylfuran-2-one

C8H10O2 — CID 22267065

IUPAC3-ethenyl-5,5-dimethylfuran-2-one
SMILESC=CC1=CC(C)(C)OC1=O
InChIInChI=1S/C8H10O2/c1-4-6-5-8(2,3)10-7(6)9/h4-5H,1H2,2-3H3
InChIKeyUYJWJKOOCIVPSA-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.43
Rot. Bonds1

About 3-ethenyl-5,5-dimethylfuran-2-one

3-ethenyl-5,5-dimethylfuran-2-one (PubChem CID 22267065) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-ethenyl-5,5-dimethylfuran-2-one.

Molecular Properties

Compound Name3-ethenyl-5,5-dimethylfuran-2-one
PubChem CID22267065
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name3-ethenyl-5,5-dimethylfuran-2-one
SMILESC=CC1=CC(C)(C)OC1=O
InChIInChI=1S/C8H10O2/c1-4-6-5-8(2,3)10-7(6)9/h4-5H,1H2,2-3H3
InChIKeyUYJWJKOOCIVPSA-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5,5-dimethylfuran-2-one?
The IUPAC name of 3-ethenyl-5,5-dimethylfuran-2-one (CID 22267065) is 3-ethenyl-5,5-dimethylfuran-2-one.
What is the SMILES notation for 3-ethenyl-5,5-dimethylfuran-2-one?
The canonical SMILES for 3-ethenyl-5,5-dimethylfuran-2-one is C=CC1=CC(C)(C)OC1=O.
What is the InChIKey of 3-ethenyl-5,5-dimethylfuran-2-one?
The InChIKey is UYJWJKOOCIVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-4-6-5-8(2,3)10-7(6)9/h4-5H,1H2,2-3H3.
What are the key properties of 3-ethenyl-5,5-dimethylfuran-2-one?
3-ethenyl-5,5-dimethylfuran-2-one has a molecular weight of 138.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5,5-dimethylfuran-2-one is sourced from PubChem (CID 22267065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).