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
   -2.8620    1.5188   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6361    0.7597    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1136   -0.1469   -0.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0920   -0.8936   -0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087   -2.2130   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2896   -0.1940   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    1.0513   -0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335   -0.8488    0.2539 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6051   -0.1404    0.6348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4626    0.9486   -1.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4457    1.7464    0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721    2.5212   -0.7166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9023    0.1556    1.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8913    1.5002    0.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100    0.5097   -1.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9147   -0.8599   -1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7843   -2.7392   -0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9631   -2.7950   -0.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9003    0.6201   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3870   -0.8864    0.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4069    0.3855    1.6005 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