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
   -2.3928   -1.3132   -1.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -0.7981   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0039    0.6114   -0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300    1.2585    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    2.3522    0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490    0.6595    0.3468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    1.2380    1.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7023   -0.4887   -0.3288 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0096   -0.9840   -0.2016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8654   -2.2261   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9405   -1.4862   -2.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1243   -0.4778   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -1.4690   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6939   -0.8328    0.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9384    1.1747   -0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5856    0.5475   -1.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2477    2.8062    0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766    2.8211    1.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848   -1.7493    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868   -1.4668   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -0.1775    0.1516 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