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
    3.8382    1.1923   -0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    0.6904   -0.0923 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.2369    0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    0.2698    2.1148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4683   -0.2676    0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1994   -0.6980    1.8985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1667   -0.2834   -0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6083   -0.7089   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1544   -0.7117   -1.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4366    0.3155    0.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097    2.2695    0.1391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    1.0955   -1.1201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    0.6383    0.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2991   -0.6619    2.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1937   -1.0928    1.8804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0278    0.7067   -0.9823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -0.9951   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7818   -1.7038   -0.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473   -1.6341   -2.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2373   -0.5879   -1.9356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6784    0.1834   -2.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1768   -0.1620    0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7391    0.9744    0.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456    0.9344   -0.4042 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