1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone

C11H18O3 — CID 134102308

IUPAC1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone
SMILESCCC1(CC)C(C(C)=O)=C(C)OC1O
InChIInChI=1S/C11H18O3/c1-5-11(6-2)9(7(3)12)8(4)14-10(11)13/h10,13H,5-6H2,1-4H3
InChIKeyISMZNUAWFYXDRH-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.00
Rot. Bonds3

About 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone

1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone (PubChem CID 134102308) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone
PubChem CID134102308
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone
SMILESCCC1(CC)C(C(C)=O)=C(C)OC1O
InChIInChI=1S/C11H18O3/c1-5-11(6-2)9(7(3)12)8(4)14-10(11)13/h10,13H,5-6H2,1-4H3
InChIKeyISMZNUAWFYXDRH-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,3,5-trimethyl-2-(2-methylprop-1-enyl)-2H-furan-4-yl]ethanone
CID 14912356
propane;propan-2-one
CID 90822370
1-[(2R,3S)-2,3,5-trimethyl-2,3-dihydrofuran-4-yl]ethanone
CID 130765246
(3,3-diethyl-4-oxoazetidin-2-yl) ethaneperoxoate
CID 139747689
1-[4-(4-ethyl-4-methylpiperidin-1-yl)phenyl]ethanone
CID 63158711
3-acetyl-3-ethyloxiran-2-one
CID 19009350
2-acetyl-4,6,6-triethyl-3,5-dihydroxycyclohexa-2,4-dien-1-one
CID 16736820
[(3S,5R)-5-ethyl-4,4-difluoro-3-hydroxyoxolan-2-yl] acetate
CID 126585094
3-acetyl-5,5-diethyl-4,4-dimethyloxolan-2-one
CID 10560499
(3S,4S,5R)-5-ethyl-3,4-dihydroxy-4-methyloxolan-2-one
CID 130875371
1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone
CID 174181144
(2,5-dimethyl-4-oxofuran-3-yl) ethyl carbonate
CID 14297379

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone?
The IUPAC name of 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone (CID 134102308) is 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone?
The canonical SMILES for 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone is CCC1(CC)C(C(C)=O)=C(C)OC1O.
What is the InChIKey of 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone?
The InChIKey is ISMZNUAWFYXDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-11(6-2)9(7(3)12)8(4)14-10(11)13/h10,13H,5-6H2,1-4H3.
What are the key properties of 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone?
1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone has a molecular weight of 198.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethyl-2-hydroxy-5-methyl-2H-furan-4-yl)ethanone is sourced from PubChem (CID 134102308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).