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
   -3.0845    0.7387   -0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1154   -0.3164    0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212    0.1784   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3256   -0.7487    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -1.8707    0.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -0.4184    0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6456   -1.2028    0.5127 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1465    0.7486   -0.4961 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5122    1.0656   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5551    1.6755   -0.6301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662    0.3876   -1.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8452    0.9383    0.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2881   -0.4738    1.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2711   -1.2434   -0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5972    1.1195    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6118    0.4918   -1.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272   -2.5940    1.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -2.1035    1.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    0.2110   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5154    1.9033   -1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9737    1.5132    0.2151 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