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
    4.2929    0.2669    0.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1051   -0.1596   -0.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004    0.3494    0.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9243    1.1568    1.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6173   -0.0123   -0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733   -0.8481   -1.4582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027    0.5657    0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873    0.1131   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9889    0.8777    0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1751   -1.3520   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0066   -0.5933    0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6877    1.1532   -0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609    0.4730    1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4745   -1.2710   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3652   -1.1222   -1.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5411    1.6775   -0.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187    0.4230    1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0059    0.3483   -1.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9293    0.8765   -0.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    1.9004    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1216    0.3815    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223   -1.8597   -1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9945   -1.5161    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2904   -1.8289    0.1893 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