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
    3.0334    0.6333    0.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770    0.5946   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111   -0.7863    0.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2121   -0.8221   -0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -1.6780   -1.4923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3030    0.0363   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1543    0.8439    0.8318 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5065   -0.0384   -0.7562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5821    0.7952   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4287   -0.3908    0.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2554    0.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    1.1312    1.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0329    1.4116    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554    0.7246   -1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7840   -1.4819   -0.3480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515   -1.0748    1.2445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071   -2.3469   -1.8210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -1.7709   -2.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1721    1.6554    0.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    0.1815    0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1310    1.1271   -1.3003 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