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
   -3.0700    0.7178    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1045   -0.4348   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7245    0.1297   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319   -0.8454   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0934   -2.1245   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -0.3929   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6842   -1.1825   -0.4938 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    0.9350   -0.0500 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4127    1.3707   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0943    0.3797    0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6413    1.2475    1.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9518    1.4374   -0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2030   -1.1199    0.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3794   -0.9602   -0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6719    0.9323   -0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5419    0.5834    0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8493   -2.8450   -0.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9401   -2.4539   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040    0.6045   -0.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4262    2.2809   -0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    1.7403    0.9550 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