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
    5.7729    0.4324   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3914    0.2776   -0.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7939   -0.9723   -0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5739   -1.9578   -0.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651   -1.1062    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5562   -0.0690    0.1103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1248   -0.1864    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -1.3397    0.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436    0.8470    0.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0811    0.9887    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0655    0.4726   -0.4029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4518    0.8724    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0103   -1.0066   -0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0386    1.4553   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -0.2755   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0260    0.4842   -1.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905   -2.1177    0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9583    0.9166   -0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273    0.5223    1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656    2.0742    0.7600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    0.9689   -1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1707    1.0307   -0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3541    1.8171    0.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8084    0.0855    0.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2513   -1.3675   -1.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0416   -1.2959   -0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9541   -1.5510    0.3868 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