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
    3.8671   -0.4359   -0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5126   -0.3706   -0.4163 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368    0.7582    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589    1.7764    0.2373 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5313    0.7202    0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0177    1.8121    0.9848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -0.5043    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7221   -0.3608    0.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2851    0.6615   -0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4563   -1.6753    0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578    0.2034   -1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0780   -1.4913   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5686   -0.1102   -0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5886    2.7338    1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0007    1.8657    1.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0657   -0.9502   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0936   -1.3334    0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8291    0.0356    1.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4517    1.2142   -0.9128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487    1.3966    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8311    0.0547   -1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4932   -2.2263    1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5185   -1.4723    0.1266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9551   -2.3016   -0.3481 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