CC1(CC2C(O2)CO1)C
Name: 4,4-dimethyl-3,7-dioxabicyclo[4.1.0]heptane
SMILES: CC1(CC2C(O2)CO1)C

Molecular Processing

Molecular formula
C7H12O2
Molecular weight
128.17
Exact mass
128.0837
XLogP
0.95
TPSA
21.76
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
33.31

Supplementary Information

InChIKey: SQDVHFHVUCCKLS-UHFFFAOYSA-N
Synonyme
SCHEMBL16667882SQDVHFHVUCCKLS-UHFFFAOYSA-N4,4-dimethyl-3,7-dioxa-bicyclo[4.1.0]heptane
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