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
    3.8569    0.7930    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8924   -0.0952   -0.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5822   -0.0490    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    0.7948    1.0232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5494   -0.9305   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218   -1.8194   -1.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8416   -0.9731    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7116    0.1809   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0995   -0.2085    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4021    1.4922    0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    0.3300    0.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5270    1.0278    1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8826    1.7676   -0.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9400   -1.8533   -1.6495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2151   -2.5092   -1.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789   -1.1748    1.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784   -1.8741   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8880    0.3111   -1.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2548   -1.2573    0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8524    0.4897   -0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9565   -0.1299    1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500    1.4666    1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    2.1235   -0.2055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3691    2.0971    0.2579 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