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
    3.1462   -0.6055    0.2245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5925    0.5204    0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1767    0.7759    0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7178    1.8427    1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458   -0.0937    0.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1167    0.1350   -0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9918   -0.8361    0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5906    0.2821   -1.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5371   -1.3737   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2009   -0.7841    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2446    1.2559    1.1317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087    1.1497    0.4494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280   -1.8850    0.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0177   -0.7434    0.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1532   -0.5972    1.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4169   -0.6834   -1.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9119    1.0366   -1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6262    0.6039   -1.5201 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