Name: 3,6,7-trimethyl-6-octen-1-in-3-ol
SMILES:
C#CC(C)(O)CCC(C)=C(C)CMolecular Processing
Molecular formula
C11H18O
Molecular weight
166.26
Exact mass
166.1358
XLogP
2.51
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
12
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
0.636
Molar refractivity
52.74
Supplementary Information
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