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
    2.9878    1.2075   -0.7856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8765    0.5982   -0.1904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098   -0.6554   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1016   -1.2069   -1.4852 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2795   -1.3382    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0089   -2.5614   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493   -0.7988    1.0866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930    0.3794    0.7978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3888    0.0931   -0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452    1.6926    0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642    0.3969   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    1.5155   -1.8145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    2.0045   -0.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735   -3.0343   -1.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8442   -3.1412   -0.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0716   -0.5663    2.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643   -1.5893    1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0848    0.5143    1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    0.1838   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1657    0.8916   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9024   -0.8602   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5258    2.4842    0.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551    1.9103   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    1.8803    1.3336 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