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
   -3.1549   -0.8120   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0988    0.2954   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7211   -0.2863    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2995    0.7745   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0623    2.0262   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7376    0.4692    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5561    1.4183    0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2254   -0.7997    0.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841   -1.1320    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9506   -0.5851   -0.7897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6571   -1.7963   -0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5527   -0.8557    0.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3385    1.0254    0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1820    0.7770   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531   -0.9490   -0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -0.9336    0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647    2.8098   -0.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    2.2835   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9355   -1.4014   -0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2137   -0.3012    0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663   -2.0272    1.0155 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