Monomers

Methyl 2-ethylacrylate

Identifiers

IUPAC name
methyl 2-methylidenebutanoate
InchI
InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h2,4H2,1,3H3
InchI Key
JKJJSJJGBZXUQV-UHFFFAOYSA-N
SMILES
CCC(=C)C(=O)OC
Canonical SMILES
CCC(=C)C(=O)OC
Isomeric SMILES
CCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2
Heavy Atom Count
8
Molecular Weight
114.144
Exact Molecular Weight
114.0681
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.1256
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.0742    1.3574   -0.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8698   -0.0792    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -0.5930   -0.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -1.6371   -0.9948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6960   -0.0227    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636    0.9655    1.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.5448    0.0450 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1321    0.0160    0.5781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053    2.0329    0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5390    1.6258   -1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653    1.4898   -0.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9887   -0.1036    1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6441   -0.7390   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5394   -2.0656   -1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2852   -2.1194   -1.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5251   -0.5900    1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9109   -0.0510   -0.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9458    1.0579    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers