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
    3.7717   -0.9470    0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772    0.0592    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4939   -0.0671    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1693   -1.1063    1.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5794    0.9723    0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1311    2.0065   -0.5613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730    0.9721    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6876    0.0108   -0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1814    0.1712   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966   -1.4377   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869   -1.9509    0.5139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7082   -0.8828    0.0459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0341   -0.8165    1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4983    2.7969   -0.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    2.0728   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0107    0.8821    1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2728    2.0032    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6621    0.2493   -1.5749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3831   -0.3473    0.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3436    1.2484    0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8111   -0.2541   -0.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3772   -1.8110    0.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5020   -1.7704   -0.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2326   -2.0537   -0.8236 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