C#CC1(O)C(C)CC(OC(C)=O)CC1(C)C
SMILES: C#CC1(O)C(C)CC(OC(C)=O)CC1(C)C

Molecular Processing

Molecular formula
C13H20O3
Molecular weight
224.3
Exact mass
224.1412
XLogP
1.74
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
61.52

Supplementary Information

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