CC(C)C(=O)C#CCOC1CCCCO1
SMILES: CC(C)C(=O)C#CCOC1CCCCO1

Molecular Processing

Molecular formula
C12H18O3
Molecular weight
210.27
Exact mass
210.1256
XLogP
1.76
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
57.16

Supplementary Information

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