RefChem:1049050
C₅H₆O₃·114.100 g/mol·CID 5318286
IUPAC: 4-hydroxy-3-methylideneoxolan-2-one
Also known as: (+-)-Tulipaline B (compound 6), 4-hydroxy-3-methylideneoxolan-2-one, 2(3H)-Furanone, dihydro-4-hydroxy-3-methylene-, 51348-66-4, (+/-)-TULIPALINE B (+6 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
114.100g/mol
Exact Mass
114.031694Da
Monoisotopic Mass
114.031694Da
XLogP
-0.4
Polar Surface Area
46.5Ų
Complexity
139
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 114.1 g/mol
MW ≤ 500
✓ -0.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Isomers8 compounds with formula C₅H₆O₃
4-hydroxy-5-methylfuran-3-one
CID 4564493 · 114.1 g/mol
oxane-2,6-dione
CID 7940 · 114.1 g/mol
3-methoxy-2H-furan-5-one
CID 643477 · 114.1 g/mol
(E)-4-oxopent-2-enoic acid
CID 5363652 · 114.1 g/mol
2-hydroxy-4-methyl-2H-furan-5-one
CID 5279300 · 114.1 g/mol
3-methyloxolane-2,5-dione
CID 20051 · 114.1 g/mol
(4S)-4-hydroxy-3-methylideneoxolan-2-one
CID 162351 · 114.1 g/mol
4,5-dimethyl-1,3-dioxol-2-one
CID 142210 · 114.1 g/mol