COC(=O)C=CC1CCCCCCCCCCC1
Name: methyl 3-cyclododecylprop-2-enoate
SMILES: COC(=O)C=CC1CCCCCCCCCCC1

Molecular Processing

Molecular formula
C16H28O2
Molecular weight
252.4
Exact mass
252.2089
XLogP
4.64
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
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
0.812
Molar refractivity
75.43

Supplementary Information

InChIKey: XAWHERYZNYWSML-UHFFFAOYSA-N
Synonyms
SCHEMBL9129967XAWHERYZNYWSML-UHFFFAOYSA-Nmethyl 3-cyclododecylprop-2-enoate
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Involved in 3 reactions→

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