Monomers

Methyl 2-methylidenepentanoate

Identifiers

IUPAC name
methyl 2-methylidenepentanoate
InchI
InChI=1S/C7H12O2/c1-4-5-6(2)7(8)9-3/h2,4-5H2,1,3H3
InchI Key
QLXPVMDADJJSOC-UHFFFAOYSA-N
SMILES
CCCC(=C)C(=O)OC
Canonical SMILES
CCCC(=C)C(=O)OC
Isomeric SMILES
CCCC(=C)C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H12O2
Heavy Atom Count
9
Molecular Weight
128.171
Exact Molecular Weight
128.0837
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.5157
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

 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.7627    1.6238    0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    0.2279   -0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3936   -0.8661    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468   -1.0389   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2359   -2.0931   -0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0443   -0.1264    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663    0.9070    0.9463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3317   -0.3587   -0.3024 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    0.5691    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9369    1.9288   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6755    2.2658   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807    1.9699    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2380    0.1650    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3338    0.0216   -1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9892   -1.8231    0.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3831   -0.8401    1.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107   -2.2730   -1.2310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5546   -2.7944   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306    1.6204   -0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2288    0.4007   -0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    0.5140    1.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  5 17  1  0
  5 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers