الاسم: 4-hydroxy-6-isopropyl-6-[2-(tetrahydro-furan-2-yl)-ethyl]-5,6-dihydro-pyran-2-one
SMILES:
CC(C)C1(CCC2CCCO2)CC(O)=CC(=O)O1Molecular Processing
Molecular formula
C14H22O4
Molecular weight
254.33
Exact mass
254.1518
XLogP
2.73
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.786
Molar refractivity
67.2
Supplementary Information
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