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
    3.5544    0.2235    0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600   -0.2917   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1868    0.4596    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499    0.1586    0.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8877    0.2638   -0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    0.6763   -1.7724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111   -0.1110   -0.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731   -0.0330   -1.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9194   -0.6023    0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8851    1.0303   -0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2806   -0.6105    0.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5271    0.6888    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0645   -0.1258   -1.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778   -1.3748   -0.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    0.2916    1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3383    1.5448    0.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6418    0.3201   -2.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1098   -0.3128   -1.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1815   -0.4776    1.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1568   -1.6749    0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8516   -0.0432    0.7476 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