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
   -3.1984   -0.4197    0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959    0.1396    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036   -0.2886   -0.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607    0.2401   -0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664    1.0190   -1.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.1034    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9016   -0.8501    1.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    0.3614    0.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4739    0.0279    1.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4539   -0.7421   -0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9431    0.3089    0.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2542   -1.3106    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3016   -0.1104    1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8943    1.2446    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136   -1.4045   -0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    0.0591   -1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1039    1.2738   -2.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7647    1.3983   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3256    0.7320    1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9843    0.0351    2.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8787   -0.9787    1.0616 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