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
   -2.6199   -0.1856   -1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367    0.3237   -0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -0.8631    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456   -0.4183    1.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752   -0.5390    2.4976 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512    0.1463    0.5912 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4040    0.5096    1.3236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6059    0.3062   -0.7689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    0.8627   -1.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -0.6766   -2.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -0.9308   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2831    0.6470   -1.4784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607    0.7512   -1.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8506    1.0959    0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -1.2103    1.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6551   -1.6793   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -0.2288    3.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7002   -0.9508    2.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6255    1.6558   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4622    0.0480   -1.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4086    1.3361   -0.4242 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