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
    2.5970   -1.2713    0.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873   -0.7261   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0802    0.6615    0.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821    1.2709   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1473    2.4035   -1.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846    0.6723   -0.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5499    1.2053   -0.4720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6158   -0.5174    0.6378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8839   -1.0862    0.8884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025   -1.6004    1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3717   -0.4965    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005   -2.1800   -0.4782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914   -1.4326   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3397   -0.7019   -1.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9415    1.2713   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572    0.5945    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    2.8862   -1.3772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8084    2.8919   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8140   -2.1539    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870   -0.5872    0.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0686   -1.1039    1.9792 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