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
   -2.6482   -1.0739    0.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3803   -0.5014   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9575    0.6567    0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2687    1.3258    0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957    2.6076   -0.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5023    0.5604    0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    1.0850   -0.3858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805   -0.7850    0.3622 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765   -1.5318    0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4004   -1.2924    1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -1.9703   -0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3847   -0.2443    0.4383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5822   -0.1812   -1.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6182   -1.3021   -0.2520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794    1.3822    0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7720    0.2121    1.6642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7127    3.1855   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0634    3.1456   -0.5280 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9314   -1.8869   -0.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708   -2.4589    0.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6707   -0.9328    0.5771 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