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
    3.0267    0.6618   -1.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8925    0.5062   -0.6201 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907   -0.5647    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5947   -1.4386    0.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5126   -0.7034    1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864   -1.7426    1.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5472    0.3259    1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1456    0.4744   -0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570   -0.8385   -0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2547    1.4926   -0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8028    0.7427   -2.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -0.1919   -1.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783    1.5516   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1678   -2.4855    1.8759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4560   -1.9194    2.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0870    1.3289    1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    0.1453    1.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3843    0.7760   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -1.5378   -1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724   -0.6165   -1.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3657   -1.2375    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    1.4900    0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0861    1.2618   -0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487    2.5192   -0.4942 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