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
    5.9304    0.1742    0.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6435   -0.3276    0.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5460    0.4905    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6612    1.7449    0.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.0582   -0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1867    0.7202   -0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1360    0.1871   -0.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2186   -1.0517   -0.9136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2566    0.9243   -0.8996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5597    0.6040   -1.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302   -0.2454   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416    0.3490    1.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9872   -1.7039   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5624    0.2035   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978    1.1729    0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3587   -0.5348    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1690   -1.1234   -0.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3022    1.7949   -0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6917    0.1512   -2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1330    1.5805   -1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171   -0.2067   -0.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846    0.8762    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6451   -0.4948    1.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2932    1.0522    1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975   -2.0471   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2509   -1.9721    0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9595   -2.2600   -0.0063 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