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
    3.5173   -0.2807    0.9338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329   -0.6665    0.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663    0.0362    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1156    1.0375    1.1988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -0.3553   -0.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2109    0.3124   -0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1923   -0.6771    0.4555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6640    0.8748   -1.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4591   -0.7989    0.8289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4475    0.5757    1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769   -1.5229   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0490    1.1519    0.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2177   -0.5468    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8374   -1.7269    0.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838   -0.5348    1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    0.2286   -2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.8783   -1.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7648    1.0143   -1.4738 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