SMILES:
CCC(C)=CCCC(C)OMolecular Processing
Molecular formula
C9H18O
Molecular weight
142.24
Exact mass
142.1358
XLogP
2.5
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
10
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
44.96
Supplementary Information
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