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
    3.7354    0.1811    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3529    0.6533    0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257   -0.2472   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0128    0.1391    0.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0451   -0.5880   -0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8142   -1.5701   -1.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4339   -0.2652   -0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318   -0.9676   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7948    0.8783    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5283    0.8501    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    0.1503   -1.0294 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609   -0.8669    0.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1898    1.7137    0.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2826    0.5192    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4130   -0.1443   -1.2858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339   -1.3005    0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4654   -0.7434   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693   -1.8171   -1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789    1.6784    0.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682    1.2313    1.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    0.5155    1.4922 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