Name: methyl 1-butylcyclobutane-1-carboxylate
SMILES:
CCCCC1(C(=O)OC)CCC1Molecular Processing
Molecular formula
C10H18O2
Molecular weight
170.25
Exact mass
170.1307
XLogP
2.52
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
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
1
Fraction Csp3
0.9
Molar refractivity
47.83
Supplementary Information
InChIKey: CSLGPYFUEYOYAM-UHFFFAOYSA-N
Synonyme
SCHEMBL4944314CSLGPYFUEYOYAM-UHFFFAOYSA-Nmethyl 1-butylcyclobutanecarboxylate
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