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
    3.9924    0.7406    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991    0.6155   -0.0567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -0.6081   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582   -1.6401   -0.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120   -0.7621   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0271   -1.9502   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3271    0.4430   -0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8038    0.1353   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6136    1.4352   -0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1325   -0.4559    1.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2533    0.9996    1.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4475   -0.2777   -0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4472    1.4384   -0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0651   -2.1648   -0.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -2.8428   -0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    1.0589    0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100    1.0803   -1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0633   -0.5666   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5526    1.9770    0.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6833    1.0917   -0.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    2.0240   -1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2102   -0.8023    1.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661    0.3160    1.6472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8566   -1.2849    0.9386 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