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
    3.5269   -0.5519    0.9078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5231    0.0694    0.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -0.4031    0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8357   -1.4196    1.0748 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1687    0.2883   -0.2489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1954   -0.0375   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7401   -0.3265   -1.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0447    1.0630    0.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5430   -0.1981    0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3638   -1.4351    1.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7657    0.9472   -0.2836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308   -0.9453    0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4721    0.4893   -2.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8558   -0.2719   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4962   -1.3163   -2.0032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930    0.6293    0.9252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4241    1.6591    1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4227    1.7597   -0.4496 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