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
   -2.9454    0.4017   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337   -0.2549    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    0.1231   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2182   -0.4546    0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331   -1.1899    1.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6439   -0.2003    0.7583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989   -0.6894    1.6288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1834    0.5702   -0.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5726    0.7933   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7956    1.4951   -0.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9879    0.0843   -1.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4040    0.1126   -1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2895   -1.3388   -0.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5174    0.1361    1.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -0.2774   -1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5715    1.2231   -0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2857   -1.4035    1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -1.6014    2.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0642   -0.1812   -0.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9632    1.2084    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8280    1.4434   -1.1732 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