4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one

C17H28O4 — CID 139591106

IUPAC4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one
SMILESCC=C(CC)C1=C(CC(CC)CC)C(=O)C(O)(C(C)O)O1
InChIInChI=1S/C17H28O4/c1-6-12(7-2)10-14-15(13(8-3)9-4)21-17(20,11(5)18)16(14)19/h8,11-12,18,20H,6-7,9-10H2,1-5H3
InChIKeyPQBMCFDITKPAFG-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.09
Rot. Bonds7

About 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one

4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one (PubChem CID 139591106) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one.

Molecular Properties

Compound Name4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one
PubChem CID139591106
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one
SMILESCC=C(CC)C1=C(CC(CC)CC)C(=O)C(O)(C(C)O)O1
InChIInChI=1S/C17H28O4/c1-6-12(7-2)10-14-15(13(8-3)9-4)21-17(20,11(5)18)16(14)19/h8,11-12,18,20H,6-7,9-10H2,1-5H3
InChIKeyPQBMCFDITKPAFG-UHFFFAOYSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-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

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one?
The IUPAC name of 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one (CID 139591106) is 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one.
What is the SMILES notation for 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one?
The canonical SMILES for 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one is CC=C(CC)C1=C(CC(CC)CC)C(=O)C(O)(C(C)O)O1.
What is the InChIKey of 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one?
The InChIKey is PQBMCFDITKPAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-6-12(7-2)10-14-15(13(8-3)9-4)21-17(20,11(5)18)16(14)19/h8,11-12,18,20H,6-7,9-10H2,1-5H3.
What are the key properties of 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one?
4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one has a molecular weight of 296.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbutyl)-2-hydroxy-2-(1-hydroxyethyl)-5-pent-2-en-3-ylfuran-3-one is sourced from PubChem (CID 139591106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).