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
    2.9723   -0.4208    0.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5702    0.3101   -0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1516    0.5110   -0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6979    1.2111   -1.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199   -0.0459   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1872    0.1336   -0.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8488   -1.2187   -0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6652    0.8861    1.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2580   -0.8697    1.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -0.5855    0.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796    0.7535   -1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4164    0.7628   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318   -1.7510   -1.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9271   -1.1909   -0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -1.8180    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1075    0.5798    1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3789    1.9630    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513    0.7895    1.1886 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