COC(=O)CCC1CCCCCCCCCCC1
Name: methyl 3-cyclododecylpropanoate
SMILES: COC(=O)CCC1CCCCCCCCCCC1

Molecular Processing

Molecular formula
C16H30O2
Molecular weight
254.41
Exact mass
254.2246
XLogP
4.86
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
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
0.938
Molar refractivity
75.53

Supplementary Information

InChIKey: DNMZZQADUHJLJS-UHFFFAOYSA-N
Synonyms
methyl 3-cyclododecylpropanoateSCHEMBL9130829DNMZZQADUHJLJS-UHFFFAOYSA-N3-Cyclododecylpropanoic acid, methyl ester
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Involved in 6 reactions→

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