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
   -2.7314    0.7053    0.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447    0.0993    0.7554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9483   -0.4865   -0.5807 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -1.1213   -0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885   -2.4155   -0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5869   -0.3862   -0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7143   -0.9131   -0.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4637    0.9527    0.0191 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6086    1.7096    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1839    1.0286    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3553   -0.0589    0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6845    1.5727   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276   -0.6983    1.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6478    0.8959    1.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7515   -1.1428   -0.9563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364    0.3889   -1.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3790   -3.0164   -1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4456   -2.9172   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    2.7720    0.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819    1.5743    1.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4808    1.4568   -0.3006 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