Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
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
   -3.4307    0.1424   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1440   -0.3228    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405    0.3441   -0.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814   -0.1269    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1836   -1.0029    1.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    0.3805   -0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7454    1.2174   -1.2025 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7156   -0.0992    0.3872 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0464    0.3271    0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861    0.2733   -1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7433    1.1004   -0.1570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1853   -0.6541   -0.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2651   -0.1099    1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.4278   -0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311    1.4547   -0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540   -0.0395   -1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1211   -1.3381    1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589   -1.3895    1.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238    0.7591   -0.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853   -0.5656    0.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3066    1.0774    0.8725 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  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  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
  5 17  1  0
  5 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