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
   -2.6046    1.0008    0.8644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4322    0.4195    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672   -0.7267    0.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2783   -1.2872    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2554   -2.5346   -0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435   -0.4717   -0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917   -0.9679   -0.8985 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5797    0.8550    0.1316 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7387    1.6183   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4123    2.0862    0.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893    0.5159    1.8569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413    0.8716    0.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8487   -0.0023   -0.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037    1.1928   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5577   -0.3882    1.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6481   -1.5063    0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0737   -2.9354   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5925   -3.1454   -0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5242    1.3451    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0742    1.3689   -1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    2.6915   -0.1985 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