CCCC1(C=O)CCC1
名称: aldehyde
SMILES: CCCC1(C=O)CCC1

Molecular Processing

Molecular formula
C8H14O
Molecular weight
126.2
Exact mass
126.1045
XLogP
2.16
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
37.26

Supplementary Information

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