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
   -3.4154    0.4951   -0.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1957   -0.3455    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9386    0.4238   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861   -0.3285   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862   -1.5738    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685    0.3013   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6241    1.4611   -0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790   -0.3542   -0.0484 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9903    0.2960   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0871    1.4021   -0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1717   -0.0538   -0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9140    0.8473    0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512   -0.5844    1.1333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731   -1.2930   -0.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9245    1.4212    0.1842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9622    0.6192   -1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300   -2.1013    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2077   -2.1036    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1721    0.4076   -1.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    1.3271    0.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394   -0.2635    0.0827 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