CCOC(=O)C.C1CCCCC1
Name: cyclohexane;ethyl acetate
SMILES: CCOC(=O)C.C1CCCCC1

Molecular Processing

Molecular formula
C10H20O2
Molecular weight
172.27
Exact mass
172.1463
XLogP
2.91
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
2
Fraction Csp3
0.9
Molar refractivity
50.01

Supplementary Information

InChIKey: WACQKHWOTAEEFS-UHFFFAOYSA-N
Synonyme
cyclohexane EAEA cyclohexanecyclohexan EtOAcAcOEt cyclohexanecyclohexane EtOAcEtOAc cyclohexaneCyclohexane AcOEtCyH EtOAccyclohexane ethylacetateethylacetate cyclohexanecydohexane ethyl acetateethyl acetate cyclohexanecyclo-hexane ethyl acetatecyclohexane - ethyl acetateSCHEMBL18438WACQKHWOTAEEFS-UHFFFAOYSA-N
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