Monomers

1-O-methyl 4-O-(2-methylpropyl) (E)-but-2-enedioate

Identifiers

IUPAC name
1-O-methyl 4-O-(2-methylpropyl) (E)-but-2-enedioate
InchI
InChI=1S/C9H14O4/c1-7(2)6-13-9(11)5-4-8(10)12-3/h4-5,7H,6H2,1-3H3/b5-4+
InchI Key
ZSTXFWIDBPYIFZ-SNAWJCMRSA-N
SMILES
COC(=O)/C=C/C(=O)OCC(C)C
Canonical SMILES
CC(C)COC(=O)C=CC(=O)OC
Isomeric SMILES
CC(C)COC(=O)/C=C/C(=O)OC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H14O4
Heavy Atom Count
13
Molecular Weight
186.207
Exact Molecular Weight
186.0892
Valence Electrons
74
Radical Electrons
0
tPSA
52.6
MolLogP
0.9148
H Bond Acceptors
4
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

 27 26  0  0  0  0  0  0  0  0999 V2000
    4.9122   -2.9095    0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6098   -2.3548    0.4519 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871   -2.8513    1.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8465   -3.8393    1.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2399   -2.2473    1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9442   -1.2213    0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3897   -0.6566    0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2741   -1.1575    1.2266 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    0.4373   -0.3089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    0.9273   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372    2.1181   -1.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6905    2.5437   -0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3303    3.2566   -0.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034   -4.0214    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4749   -2.6492   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471   -2.5405    1.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -2.6705    1.8545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6889   -0.7811   -0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2574    1.1768    0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7350    0.1227   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0741    1.8223   -2.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9239    3.3294   -1.7123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3285    1.6637   -1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7941    2.8511    0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3218    3.5221    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254    4.1596   -1.3589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    3.0615   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  5 17  1  0
  6 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 12 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers