Monomers

N-Propyl methacrylate

Identifiers

IUPAC name
propyl 2-methylprop-2-enoate
InchI
InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h2,4-5H2,1,3H3
InchI Key
NHARPDSAXCBDDR-UHFFFAOYSA-N
SMILES
CCCOC(=O)C(=C)C
Canonical SMILES
CCCOC(=O)C(=C)C
Isomeric SMILES
CCCOC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.7735    0.0135   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3728    0.3841   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3702   -0.2977    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0912    0.0775   -0.1201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0866   -0.3711    0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9072   -1.1340    1.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3892    0.0479    0.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5002    0.8583   -1.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6164   -0.4375    0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    0.4761    0.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8158   -1.1076   -0.1591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4736    0.4222   -0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1761    0.0704   -1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2018    1.4819   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5336   -1.3830    0.3653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415    0.1108    1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5887    1.2188   -1.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4174    1.2078   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300   -1.4847    1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8476    0.2235    1.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5078   -0.3770    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers