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
    2.9114    0.0281    1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7220   -0.0072   -0.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066   -0.0452   -0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814   -0.0778   -1.9853 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2314   -0.0487   -0.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0523   -0.0845   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9092   -1.2117   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438    1.2140   -0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    0.0563    1.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.0301    1.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -0.0072   -0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -0.1124   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7273   -1.2904    1.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002   -2.1474   -0.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660   -0.8840   -0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4671    2.0599   -0.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5163    1.4234    0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8502    1.1048   -0.1615 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