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
    4.2019   -0.1992    1.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.3510    0.6386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8343   -0.3853    0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -1.5236    1.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6092    0.1866    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6454    1.3794   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984   -0.6574    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667   -0.0420   -0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1636    1.1845    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9654   -1.0810    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6873   -0.7471    0.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8095    0.6456    1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085   -0.8891    2.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5701    1.9260   -0.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403    1.8162   -0.7980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683   -1.6081   -0.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7308   -0.9517    1.3093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8463    0.2576   -1.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4732    2.0366   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0154    0.9261    1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3135    1.4469    1.2777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2378   -1.0242    1.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5244   -2.0866   -0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8034   -0.9614   -0.6685 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