CCC(=O)C(C)(C)C(OC(C)C)OC(C)C
Name: 1,1-diisopropoxy-2,2,-dimethyl-3-pentanone
SMILES: CCC(=O)C(C)(C)C(OC(C)C)OC(C)C

Molecular Processing

Molecular formula
C13H26O3
Molecular weight
230.35
Exact mass
230.1882
XLogP
3.17
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.923
Molar refractivity
65.31

Supplementary Information

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