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
    3.8498   -0.5497   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825   -0.6560    0.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612    0.1256    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5768    0.9549   -0.7982 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4234   -0.0573    1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.9574    1.9668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7808    0.7516    0.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3984    0.5143   -0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7645   -0.9532   -0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6779    1.2989   -0.7183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.5253   -0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6262   -1.1802    0.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6252   -0.9127   -1.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3896   -1.5644    2.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -1.0852    2.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317    0.5808    1.6412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5703    1.8525    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6770    0.8424   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8119   -1.4445    0.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9808   -1.4222   -1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764   -1.0901   -1.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150    0.6863   -0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6576    2.2326   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8995    1.5079   -1.7848 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