4-methoxy-3,5,5-trimethylfuran-2-one

C8H12O3 — CID 10866582

IUPAC4-methoxy-3,5,5-trimethylfuran-2-one
SMILESCOC1=C(C)C(=O)OC1(C)C
InChIInChI=1S/C8H12O3/c1-5-6(10-4)8(2,3)11-7(5)9/h1-4H3
InChIKeyFQPAUADCVYPPSB-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds1

About 4-methoxy-3,5,5-trimethylfuran-2-one

4-methoxy-3,5,5-trimethylfuran-2-one (PubChem CID 10866582) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-methoxy-3,5,5-trimethylfuran-2-one.

Molecular Properties

Compound Name4-methoxy-3,5,5-trimethylfuran-2-one
PubChem CID10866582
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-methoxy-3,5,5-trimethylfuran-2-one
SMILESCOC1=C(C)C(=O)OC1(C)C
InChIInChI=1S/C8H12O3/c1-5-6(10-4)8(2,3)11-7(5)9/h1-4H3
InChIKeyFQPAUADCVYPPSB-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Fluoro-4-methoxy-5,5-dimethylfuran-2(5H)-one
CID 15488152
InChI=1/C8H11FO3/c1-4-11-6-5(9)7(10)12-8(6,2)3/h4H2,1-3H
CID 15488153
3-Fluoro-5,5-dimethyl-4-propoxyfuran-2-one
CID 15488154
InChI=1/C9H13FO3/c1-5(2)12-7-6(10)8(11)13-9(7,3)4/h5H,1-4H
CID 15488155
InChI=1/C10H15FO3/c1-9(2,3)13-7-6(11)8(12)14-10(7,4)5/h1-5H
CID 15488157
3,4,5,5-Tetramethylfuran-2-one
CID 292845
4-Butoxy-3-fluoro-5,5-dimethylfuran-2-one
CID 15488156
ethyl (2E)-2-(oxolan-2-ylidene)propanoate
CID 12101790
2-Pentenoic acid, 2-methoxy-3-methyl-, methyl ester
CID 5363786
4-Methoxy-3,5,6-trimethyl-2H-pyran-2-one
CID 12206034
(5Z)-5-butan-2-ylidene-4-ethoxyfuran-2-one
CID 12026270
4-Methoxy-5,5-dimethylfuran-2-one
CID 12508475

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5,5-trimethylfuran-2-one?
The IUPAC name of 4-methoxy-3,5,5-trimethylfuran-2-one (CID 10866582) is 4-methoxy-3,5,5-trimethylfuran-2-one.
What is the SMILES notation for 4-methoxy-3,5,5-trimethylfuran-2-one?
The canonical SMILES for 4-methoxy-3,5,5-trimethylfuran-2-one is COC1=C(C)C(=O)OC1(C)C.
What is the InChIKey of 4-methoxy-3,5,5-trimethylfuran-2-one?
The InChIKey is FQPAUADCVYPPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-6(10-4)8(2,3)11-7(5)9/h1-4H3.
What are the key properties of 4-methoxy-3,5,5-trimethylfuran-2-one?
4-methoxy-3,5,5-trimethylfuran-2-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5,5-trimethylfuran-2-one is sourced from PubChem (CID 10866582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).