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
   -2.6967   -1.0101    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3532   -0.5410   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0163    0.7936    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998    1.2850   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116    2.4526   -0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255    0.5123   -0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473    0.9302   -0.3831 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5092   -0.7275    0.6315 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6833   -1.4895    0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5849   -1.4202    1.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4118   -0.1423    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1151   -1.7609   -0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092   -1.3153   -0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017   -0.3809   -1.5313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978    1.4990   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0633    0.6036    1.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4767    3.0541   -0.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3595    2.8340   -1.1592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6011   -0.9611    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5842   -2.4027    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8053   -1.8127    1.8906 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