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
   -3.1615    1.4588   -0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9435    0.7217   -0.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466   -0.5022    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6841   -0.9459    0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5115   -1.2804    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4096   -2.4367    0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6277   -0.8244   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2049    0.4845   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082    0.4120    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3990    0.8288   -1.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771    0.9062    0.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5888    1.5656   -1.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9945    2.4483    0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2445   -2.7693    1.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480   -3.0704    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2874   -0.7665   -1.7507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4266   -1.5842   -0.6507 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766    1.3184   -0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6562   -0.1580    1.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8797   -0.0629    1.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435    1.4786    1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2495    0.5571   -2.1717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    1.9141   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3152    0.3069   -0.7093 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