Monomers

Methyl 4-methyl-2-methylidenepentanoate

Identifiers

IUPAC name
methyl 4-methyl-2-methylidenepentanoate
InchI
InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InchI Key
FVAWMVZVWUHHOB-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)CC(C)C
Canonical SMILES
CC(C)CC(=C)C(=O)OC
Isomeric SMILES
CC(C)CC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H14O2
Heavy Atom Count
10
Molecular Weight
142.198
Exact Molecular Weight
142.0994
Valence Electrons
58
Radical Electrons
0
tPSA
26.3
MolLogP
1.7617
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

 24 23  0  0  0  0  0  0  0  0999 V2000
    4.1853   -0.1297    0.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441   -0.4382    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8058    0.1359    0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9299    0.8960    1.5609 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4736   -0.0965    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626   -0.8963   -0.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    0.5622    0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0022    0.3363    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1620    0.7778   -1.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -1.0921    0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944    0.8912    0.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9525   -0.8703    0.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0121   -0.0535    1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2228   -1.3769   -1.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043   -1.1038   -1.4060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7488    0.2329    1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4883    1.6614    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7080    0.9571    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6186    0.0271   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    1.1850   -1.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8524    1.6508   -1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3073   -1.1463    0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8807   -1.4557   -0.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6822   -1.7527    0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers