2-methyl-3-propan-2-yloxy-2H-furan-5-one

C8H12O3 — CID 10678466

IUPAC2-methyl-3-propan-2-yloxy-2H-furan-5-one
SMILESCC(C)OC1=CC(=O)OC1C
InChIInChI=1S/C8H12O3/c1-5(2)10-7-4-8(9)11-6(7)3/h4-6H,1-3H3
InChIKeyFDXYHNKBHBTLPT-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-3-propan-2-yloxy-2H-furan-5-one

2-methyl-3-propan-2-yloxy-2H-furan-5-one (PubChem CID 10678466) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yloxy-2H-furan-5-one.

Molecular Properties

Compound Name2-methyl-3-propan-2-yloxy-2H-furan-5-one
PubChem CID10678466
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-methyl-3-propan-2-yloxy-2H-furan-5-one
SMILESCC(C)OC1=CC(=O)OC1C
InChIInChI=1S/C8H12O3/c1-5(2)10-7-4-8(9)11-6(7)3/h4-6H,1-3H3
InChIKeyFDXYHNKBHBTLPT-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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

4,6-dimethylpyran-2,5-dione
CID 142846765
3-methoxy-2-(2-methyl-3-sulfanylpropyl)-2H-furan-5-one
CID 86598374
(2-bromo-5-oxo-2H-furan-3-yl) acetate
CID 14526742
3-methoxy-2-prop-1-en-2-yl-2H-furan-5-one
CID 117066646
3-(1-hydroxytridecyl)-2-methyl-2H-furan-5-one
CID 19385051
(2S)-2-methyl-5-(2-methylpropyl)furan-3-one
CID 124564292
4-hydroxy-2-(1-methoxyethyl)-2,3-dihydropyran-6-one
CID 58361815
7,8-dimethoxy-1-methyl-1H-2-benzoxepin-3-one
CID 102501519
2-ethoxy-3-ethyl-2H-furan-5-one
CID 12864807
(2R)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003165
(2S)-3-ethoxy-2-phenyl-2H-furan-5-one
CID 102003164
3,6-dimethyl-1,4-dioxane-2,5-dione
CID 7272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yloxy-2H-furan-5-one?
The IUPAC name of 2-methyl-3-propan-2-yloxy-2H-furan-5-one (CID 10678466) is 2-methyl-3-propan-2-yloxy-2H-furan-5-one.
What is the SMILES notation for 2-methyl-3-propan-2-yloxy-2H-furan-5-one?
The canonical SMILES for 2-methyl-3-propan-2-yloxy-2H-furan-5-one is CC(C)OC1=CC(=O)OC1C.
What is the InChIKey of 2-methyl-3-propan-2-yloxy-2H-furan-5-one?
The InChIKey is FDXYHNKBHBTLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5(2)10-7-4-8(9)11-6(7)3/h4-6H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yloxy-2H-furan-5-one?
2-methyl-3-propan-2-yloxy-2H-furan-5-one has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yloxy-2H-furan-5-one is sourced from PubChem (CID 10678466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).