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
    3.6657   -0.0997   -0.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4877   -0.4515   -0.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    0.0530   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.8139    0.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015   -0.2266   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529    0.2538   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -0.9452    0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1654    0.9181   -0.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943   -0.4457   -0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7390    0.5745    0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979   -1.1141   -1.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512    0.9088    0.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5992   -0.5218    1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -1.5452   -0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1302   -1.5278    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7191    1.6545   -0.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9545    0.2196   -1.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8130    1.4814   -1.7448 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