Monomers

Isopropyl acrylate

Identifiers

IUPAC name
propan-2-yl prop-2-enoate
InchI
InChI=1S/C6H10O2/c1-4-6(7)8-5(2)3/h4-5H,1H2,2-3H3
InchI Key
LYBIZMNPXTXVMV-UHFFFAOYSA-N
SMILES
C=CC(=O)OC(C)C
Canonical SMILES
CC(C)OC(=O)C=C
Isomeric SMILES
CC(C)OC(=O)C=C
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
1.124
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
    3.5963   -0.3061    0.8225 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5345    0.2991    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101   -0.2607    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9752   -1.3668    0.9947 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    0.3787   -0.1271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999   -0.1298   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0797    0.7804    0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8271   -0.3802   -1.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4722   -1.2458    1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825    0.1118    0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6742    1.2373   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312   -1.0909    0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0103    0.5340    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466    1.8501    0.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1077    0.7479    0.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8116   -1.4254   -1.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9030   -0.0424   -1.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3423    0.3091   -2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  6 12  1  0
  7 13  1  0
  7 14  1  0
  7 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