4-Ethyl-2,2-dimethylfuran-3-one

C8H12O2 — CID 13759289

IUPAC4-ethyl-2,2-dimethylfuran-3-one
SMILESCCC1=COC(C1=O)(C)C
InChIInChI=1S/C8H12O2/c1-4-6-5-10-8(2,3)7(6)9/h5H,4H2,1-3H3
InChIKeyZLKOFOSLCHFRJP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.50
Rot. Bonds1

About 4-Ethyl-2,2-dimethylfuran-3-one

4-Ethyl-2,2-dimethylfuran-3-one (PubChem CID 13759289) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-ethyl-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name4-Ethyl-2,2-dimethylfuran-3-one
PubChem CID13759289
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-ethyl-2,2-dimethylfuran-3-one
SMILESCCC1=COC(C1=O)(C)C
InChIInChI=1S/C8H12O2/c1-4-6-5-10-8(2,3)7(6)9/h5H,4H2,1-3H3
InChIKeyZLKOFOSLCHFRJP-UHFFFAOYSA-N
XLogP1.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity189

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Diethyl-furan-3-one
CID 24972499
4-Ethylfuran-3-one
CID 13759282
2-Methyl-4-(2-methylpropyl)furan-3-one
CID 13759285
2,2,4-Trimethylfuran-3-one
CID 13759291
4-Propan-2-ylfuran-3-one
CID 59187403
4-Propylfuran-3-one
CID 59527642
4-Methoxy-2,4-dimethylpent-1-en-3-one
CID 79196930
4-Ethyl-2-methyl-4-(3-methylpentoxy)hex-1-en-3-one
CID 88870341
4-(3-Ethylpentoxy)-2,4-dimethylhex-1-en-3-one
CID 89035499
4-Ethyl-2-methyl-4-pentoxyhex-1-en-3-one
CID 89188364
4-Butoxy-4-ethyl-2-methylhex-1-en-3-one
CID 89190761
2,4-Dimethyl-4-(3-methylpentoxy)hex-1-en-3-one
CID 89256562

Frequently Asked Questions

What is the IUPAC name of 4-Ethyl-2,2-dimethylfuran-3-one?
The IUPAC name of 4-Ethyl-2,2-dimethylfuran-3-one (CID 13759289) is 4-ethyl-2,2-dimethylfuran-3-one.
What is the SMILES notation for 4-Ethyl-2,2-dimethylfuran-3-one?
The canonical SMILES for 4-Ethyl-2,2-dimethylfuran-3-one is CCC1=COC(C1=O)(C)C.
What is the InChIKey of 4-Ethyl-2,2-dimethylfuran-3-one?
The InChIKey is ZLKOFOSLCHFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-6-5-10-8(2,3)7(6)9/h5H,4H2,1-3H3.
What are the key properties of 4-Ethyl-2,2-dimethylfuran-3-one?
4-Ethyl-2,2-dimethylfuran-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethyl-2,2-dimethylfuran-3-one is sourced from PubChem (CID 13759289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).