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
    2.8663    0.6014    0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2837   -0.6505   -0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9097   -0.9866    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1336   -0.0158   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    1.0941   -1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4982   -0.3166    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7628   -1.3642    0.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5686    0.5442   -0.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8552    0.1922    0.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7210    0.3499    0.7524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1747    1.1860    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3283    1.2449   -0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -1.5004   -0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424   -0.5976   -1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279   -1.9585   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599   -1.1521    1.0987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581    1.7759   -1.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    1.3634   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9177    0.2594    1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6202    0.8095   -0.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0078   -0.8787    0.0095 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