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
    3.5786   -0.1770   -0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4257    0.4078   -0.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2199   -0.1337   -0.1542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3003   -1.1825    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297    0.4366   -0.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1331   -0.1710    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572    0.8403    1.2433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889   -0.5886   -0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.0668    0.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5034    0.1878   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3635    1.2971   -1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8239   -1.0584    0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869    1.4317    0.6645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801    0.3696    2.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9564    1.5280    1.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4121    0.1966   -1.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -1.5482   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1231   -0.7695   -0.1138 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