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
    4.2696   -0.0277   -0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0174   -0.4954   -0.0477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8879    0.2941   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300    1.4246   -0.7031 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885   -0.2027    0.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -1.3837    0.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5482    0.7155    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    0.1976    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265   -1.0298   -0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8866    1.3034    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5099    0.9545   -0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0619   -0.7642   -0.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2892    0.0424   -1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028   -1.9883    0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081   -1.7717    1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822    1.6684    0.6098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5796    0.9627   -1.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -0.0026    1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5277   -1.4952   -0.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6684   -1.8053    0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1373   -0.7315   -0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    1.4067   -0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9058    1.0551    0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5285    2.2832    0.5358 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