CC(=O)OCC1(O)C=CCC(C)(C)C1
名称: (1-hydroxy-3,3-dimethyl-cyclohex-5-en-1-yl)-methyl acetate
SMILES: CC(=O)OCC1(O)C=CCC(C)(C)C1

Molecular Processing

Molecular formula
C11H18O3
Molecular weight
198.26
Exact mass
198.1256
XLogP
1.66
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
53.74

Supplementary Information

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