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
    3.0543   -0.2010   -1.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7120    0.2689   -0.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1067   -0.7765    0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -0.2846    0.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4086   -0.0680    2.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2825   -0.0392   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1294   -0.2341   -1.2274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5303    0.4212    0.4113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359    0.6338   -0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0450   -0.0423   -2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8333    0.4565   -0.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2535   -1.2513   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0177    0.5239   -1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372    1.2108    0.1178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -1.7073   -0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226   -0.9970    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3711    0.2897    2.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3356   -0.2306    2.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945    0.0887   -1.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5261    0.2200   -0.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7218    1.7184   -0.7045 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