4-ethyl-1-(furan-2-yl)hexan-3-one

C12H18O2 — CID 105117415

IUPAC4-ethyl-1-(furan-2-yl)hexan-3-one
SMILESCCC(CC)C(=O)CCc1ccco1
InChIInChI=1S/C12H18O2/c1-3-10(4-2)12(13)8-7-11-6-5-9-14-11/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyYFASCJZNULSLSR-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.22
Rot. Bonds6

About 4-ethyl-1-(furan-2-yl)hexan-3-one

4-ethyl-1-(furan-2-yl)hexan-3-one (PubChem CID 105117415) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-ethyl-1-(furan-2-yl)hexan-3-one.

Molecular Properties

Compound Name4-ethyl-1-(furan-2-yl)hexan-3-one
PubChem CID105117415
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-ethyl-1-(furan-2-yl)hexan-3-one
SMILESCCC(CC)C(=O)CCc1ccco1
InChIInChI=1S/C12H18O2/c1-3-10(4-2)12(13)8-7-11-6-5-9-14-11/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyYFASCJZNULSLSR-UHFFFAOYSA-N
XLogP3.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-1-(furan-2-yl)hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-(furan-2-yl)pentan-2-one
CID 115795583
(2S)-2-(furan-2-ylmethyl)butanoic acid
CID 38989143
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
1-(furan-2-yl)-5-methylhexan-3-one
CID 15073810
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
4-ethyl-1-phenylhexan-3-one
CID 71072308
6-(furan-2-yl)hexane-2,4-dione
CID 155288881
N-(2-chloroethyl)-3-(furan-2-yl)-N-pentan-3-ylpropanamide
CID 55188196
2-[3-(furan-2-yl)propanoylamino]-3-methylpentanoic acid
CID 43183434
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
2-amino-N-[2-(furan-2-yl)ethyl]butanamide
CID 43649605

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(furan-2-yl)hexan-3-one?
The IUPAC name of 4-ethyl-1-(furan-2-yl)hexan-3-one (CID 105117415) is 4-ethyl-1-(furan-2-yl)hexan-3-one.
What is the SMILES notation for 4-ethyl-1-(furan-2-yl)hexan-3-one?
The canonical SMILES for 4-ethyl-1-(furan-2-yl)hexan-3-one is CCC(CC)C(=O)CCc1ccco1.
What is the InChIKey of 4-ethyl-1-(furan-2-yl)hexan-3-one?
The InChIKey is YFASCJZNULSLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-10(4-2)12(13)8-7-11-6-5-9-14-11/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-ethyl-1-(furan-2-yl)hexan-3-one?
4-ethyl-1-(furan-2-yl)hexan-3-one has a molecular weight of 194.27 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(furan-2-yl)hexan-3-one is sourced from PubChem (CID 105117415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).