1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone

C10H16O2 — CID 12838693

IUPAC1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone
SMILESCCC1(C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C10H16O2/c1-5-10(4)6-9(7(2)11)8(3)12-10/h5-6H2,1-4H3
InChIKeyJVVABNRNINSNOU-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds2

About 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone

1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone (PubChem CID 12838693) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone
PubChem CID12838693
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone
SMILESCCC1(C)CC(C(C)=O)=C(C)O1
InChIInChI=1S/C10H16O2/c1-5-10(4)6-9(7(2)11)8(3)12-10/h5-6H2,1-4H3
InChIKeyJVVABNRNINSNOU-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,5-trimethyl-3H-furan-4-yl)ethanone
CID 10012120
2-Methyl-3-acetyl-5-vinyl-5-(4-methyl-3-pentenyl)-4,5-dihydrofuran
CID 12717498
1-(3-ethyl-2,2,5-trimethyl-3H-furan-4-yl)ethanone
CID 10464957
2-Butyl-2,5-dimethylfuran-3-one
CID 12416267
1-(2-Methyl-1-oxaspiro[4.5]dec-2-en-3-yl)ethanone
CID 12838695
1-[4,5-Dihydro-2-methyl-5-(1-methylethyl)-3-furanyl]ethanone
CID 12838699
1-(2-ethynyl-2,5-dimethyl-3H-furan-4-yl)ethanone
CID 13587060
1-(2,2,5-trimethyl-3-propan-2-yl-3H-furan-4-yl)ethanone
CID 14085445
1-[(3S)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone
CID 14932548
1-(2,5-dimethyl-2-propyl-3H-furan-4-yl)ethanone
CID 15314373
2-Methyl-2-propyl-3,5,6,7-tetrahydro-1-benzofuran-4-one
CID 82254172
1-[(3R)-3-ethyl-2,2,5-trimethyl-3H-furan-4-yl]ethanone
CID 101988953

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
The IUPAC name of 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone (CID 12838693) is 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone is CCC1(C)CC(C(C)=O)=C(C)O1.
What is the InChIKey of 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
The InChIKey is JVVABNRNINSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-10(4)6-9(7(2)11)8(3)12-10/h5-6H2,1-4H3.
What are the key properties of 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone?
1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2,5-dimethyl-3H-furan-4-yl)ethanone is sourced from PubChem (CID 12838693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).