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
    4.3481    0.2653   -0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466   -0.1701    0.2536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9079    0.1963   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9927    0.9651   -1.3798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5648   -0.2912   -0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5096   -1.0941    1.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371    0.1363   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8883   -0.3124   -0.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261    0.1299   -0.8635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347    0.3002    1.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6446   -0.0590   -1.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    1.3506    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0538   -0.2411    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4051   -1.3817    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4171   -1.5023    1.3597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6244   -0.2806   -1.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7089    1.2357   -0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9644   -1.4055    0.0373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4215    1.1601   -0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9841   -0.5377   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8693    0.1007   -1.9554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0788    0.7436    1.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8113    1.1049    1.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3964   -0.4132    2.0906 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