4-butoxy-5-ethyl-2-methylfuran-3-one

C11H18O3 — CID 21465739

IUPAC4-butoxy-5-ethyl-2-methylfuran-3-one
SMILESCCCCOC1=C(CC)OC(C)C1=O
InChIInChI=1S/C11H18O3/c1-4-6-7-13-11-9(5-2)14-8(3)10(11)12/h8H,4-7H2,1-3H3
InChIKeyVGZAUCNPLKDPKO-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds5

About 4-butoxy-5-ethyl-2-methylfuran-3-one

4-butoxy-5-ethyl-2-methylfuran-3-one (PubChem CID 21465739) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 4-butoxy-5-ethyl-2-methylfuran-3-one.

Molecular Properties

Compound Name4-butoxy-5-ethyl-2-methylfuran-3-one
PubChem CID21465739
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name4-butoxy-5-ethyl-2-methylfuran-3-one
SMILESCCCCOC1=C(CC)OC(C)C1=O
InChIInChI=1S/C11H18O3/c1-4-6-7-13-11-9(5-2)14-8(3)10(11)12/h8H,4-7H2,1-3H3
InChIKeyVGZAUCNPLKDPKO-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-5-ethyl-2-methylfuran-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

(2-ethyl-5-methyl-4-oxofuran-3-yl) butanoate
CID 21465715
2,5-dimethyl-4-(2-propoxyethoxy)furan-3-one
CID 118248588
2-butoxy-3,5-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 71336521
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one
CID 68591015
(2R)-4-decoxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
CID 68591726
2-(1,2-dihydroxyethyl)-3-hydroxy-4-undecoxy-2H-furan-5-one
CID 54726558
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hexoxy-3-hydroxy-2H-furan-5-one
CID 68591424
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-nonadecoxy-2H-furan-5-one
CID 68590112
(2R)-3-butoxy-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
CID 18600208
5-butyl-4-methyloxolane-2,3-dione
CID 91498461
2-butoxy-3-chloronaphthalene-1,4-dione
CID 11118965
(3S)-3-butoxy-2-methyl-2,3-dihydro-1,4-benzodioxine
CID 154992776

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5-ethyl-2-methylfuran-3-one?
The IUPAC name of 4-butoxy-5-ethyl-2-methylfuran-3-one (CID 21465739) is 4-butoxy-5-ethyl-2-methylfuran-3-one.
What is the SMILES notation for 4-butoxy-5-ethyl-2-methylfuran-3-one?
The canonical SMILES for 4-butoxy-5-ethyl-2-methylfuran-3-one is CCCCOC1=C(CC)OC(C)C1=O.
What is the InChIKey of 4-butoxy-5-ethyl-2-methylfuran-3-one?
The InChIKey is VGZAUCNPLKDPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-6-7-13-11-9(5-2)14-8(3)10(11)12/h8H,4-7H2,1-3H3.
What are the key properties of 4-butoxy-5-ethyl-2-methylfuran-3-one?
4-butoxy-5-ethyl-2-methylfuran-3-one has a molecular weight of 198.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5-ethyl-2-methylfuran-3-one is sourced from PubChem (CID 21465739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).